LB-30870 (CAS 280780-95-2): price, suppliers and safety

What is LB-30870?

Plain description, key identifiers and synonyms

LB-30870 is a chemical substance with the molecular formula C28H31N5O4S and a molar mass of 533.65 g/mol. Its CAS registry number is 280780-95-2. The IUPAC name is 2-[[(2R)-1-[(2S)-2-[(5-carbamimidoylthiophen-2-yl)methylcarbamoyl]pyrrolidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]amino]acetic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name: 2-[[(2R)-1-[(2S)-2-[(5-carbamimidoylthiophen-2-yl)methylcarbamoyl]pyrrolidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]amino]acetic acid
CAS number: 280780-95-2
Molecular formula: C₂₈H₃₁N₅O₄S
UNII: FS64O4K98A
InChIKey: BIHPYGVYKSQDLA-SQJMNOBHSA-N
InChI: InChI=1S/C28H31N5O4S/c29-26(30)22-14-13-20(38-22)16-32-27(36)21-12-7-15-33(21)28(37)25(31-17-23(34)35)24(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,13-14,21,24-25,31H,7,12,15-17H2,(H3,29,30)(H,32,36)(H,34,35)/t21-,25+/m0/s1
Canonical SMILES: N=C(N)c1ccc(CNC(=O)C2CCCN2C(=O)C(NCC(=O)O)C(c2ccccc2)c2ccccc2)s1
Isomeric SMILES: C1C[C@H](N(C1)C(=O)[C@@H](C(C2=CC=CC=C2)C3=CC=CC=C3)NCC(=O)O)C(=O)NCC4=CC=C(S4)C(=N)N

Synonyms

L-Prolinamide, N-(carboxymethyl)-beta-phenyl-D-phenylalanyl-N-((5-(aminoiminomethyl)-2-thienyl)methyl)-
LB 30870
(1-Benzhydryl-2-{2-[(5-carbamimidoyl-thiophen-2-ylmethyl)-carbamoyl]-pyrrolidin-1-yl}-2-oxo-ethylamino)-acetic acid

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight	533.65 g/molcalc.
Exact mass	533.2097 Dacalc.
LogP (octanol/water)	2.51calc.
Topological polar surface area	148.6 Å²calc.
Hydrogen bond donors	5calc.
Hydrogen bond acceptors	6calc.
Rotatable bonds	11calc.
Heavy atoms	38calc.
Rings	4calc.
Aromatic rings	3calc.
Fraction sp3 carbons	0.29calc.
Formal charge	0calc.
Stereocentres	2calc.
Lipinski rule of five	Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

O=C(NCc1cccs1)C1CCCN1C(=O)CC(c1ccccc1)c1ccccc1

4 rings, 30 atoms.

1 other chemical share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

LB-30870 suppliers

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LB-30870 price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code LB-30870 is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024

$26.7B

+15.0% vs 2023, imports $26.3B

2019 to 2024

Top exporters

Ireland26.3%
China15.7%
Singapore10.3%

Top importers

Reported customs values in USD, not prices.Full trade data

The HS code shown for LB-30870 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Parent and salt forms, stereoisomers, similar structures and isomers

Stereoisomers and isotopic forms

Same connectivity, different stereochemistry or isotopes (same InChIKey skeleton)

2-[[(2S)-1-[(2S)-2-[(5-Carbamimidoylthiophen-2-yl)methylcarbamoyl]pyrrolidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]amino]acetic acid chemical structure, C28H31N5O4S, CAS 1583240-63-4

2-[[(2S)-1-[(2S)-2-[(5-Carbamimidoylthiophen-2-yl)methylcarbamoyl]pyrrolidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]amino]acetic acid1583240-63-4C₂₈H₃₁N₅O₄S

Same formula isomers

Different compounds that share this molecular formula

All isomers

N-Cyclohexyl-3-[5-({[(3-methoxyphenyl)carbamoyl]methyl}sulfanyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl]propanamide chemical structure, C28H31N5O4S, CAS 1037222-78-8

N-Cyclohexyl-3-[5-({[(3-methoxyphenyl)carbamoyl]methyl}sulfanyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl]propanamide1037222-78-8C₂₈H₃₁N₅O₄S

N-Cyclohexyl-3-[5-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl]propanamide chemical structure, C28H31N5O4S, CAS 1037222-81-3

N-Cyclohexyl-3-[5-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl]propanamide1037222-81-3C₂₈H₃₁N₅O₄S

(4-{5-[({4-[2-(Benzyloxy)ethyl]-1,3-Thiazol-2-Yl}carbamoyl)amino]-3-Tert-Butyl-1H-Pyrazol-1-Yl}phenyl)acetic Acid chemical structure, C28H31N5O4S, CAS 1357621-22-7

(4-{5-[({4-[2-(Benzyloxy)ethyl]-1,3-Thiazol-2-Yl}carbamoyl)amino]-3-Tert-Butyl-1H-Pyrazol-1-Yl}phenyl)acetic Acid1357621-22-7C₂₈H₃₁N₅O₄S

2-({2-[2-(Cyclohexylamino)-2-oxoethyl]-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl}thio)-N-(4-ethoxyphenyl)acetamide chemical structure, C28H31N5O4S, CAS 1173777-87-1

2-({2-[2-(Cyclohexylamino)-2-oxoethyl]-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl}thio)-N-(4-ethoxyphenyl)acetamide1173777-87-1C₂₈H₃₁N₅O₄S

2-(5-{[2-(Cyclohexylamino)-2-oxoethyl]thio}-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-2-yl)-N-(4-methoxybenzyl)acetamide chemical structure, C28H31N5O4S, CAS 1173771-51-1

2-(5-{[2-(Cyclohexylamino)-2-oxoethyl]thio}-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-2-yl)-N-(4-methoxybenzyl)acetamide1173771-51-1C₂₈H₃₁N₅O₄S

2-(5-{[2-(Cyclohexylamino)-2-oxoethyl]thio}-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-2-yl)-N-(2-methoxybenzyl)acetamide chemical structure, C28H31N5O4S, CAS 1173758-13-8

2-(5-{[2-(Cyclohexylamino)-2-oxoethyl]thio}-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-2-yl)-N-(2-methoxybenzyl)acetamide1173758-13-8C₂₈H₃₁N₅O₄S

N-Cyclohexyl-3-[5-({[(2-methoxyphenyl)carbamoyl]methyl}sulfanyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl]propanamide chemical structure, C28H31N5O4S, CAS 1095327-25-5

N-Cyclohexyl-3-[5-({[(2-methoxyphenyl)carbamoyl]methyl}sulfanyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl]propanamide1095327-25-5C₂₈H₃₁N₅O₄S

4-Ethoxy-N-(4-((4-((4-methoxyphenyl)amino)-6-methylpyrimidin-2-yl)amino)phenyl)-3,5-dimethylbenzenesulfonamide chemical structure, C28H31N5O4S, CAS 946269-87-0

4-Ethoxy-N-(4-((4-((4-methoxyphenyl)amino)-6-methylpyrimidin-2-yl)amino)phenyl)-3,5-dimethylbenzenesulfonamide946269-87-0C₂₈H₃₁N₅O₄S

N-Butyl-3-(2-((2-((2-methoxyphenyl)amino)-2-oxoethyl)thio)-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-3-yl)propanamide chemical structure, C28H31N5O4S, CAS 2034512-33-7

N-Butyl-3-(2-((2-((2-methoxyphenyl)amino)-2-oxoethyl)thio)-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-3-yl)propanamide2034512-33-7C₂₈H₃₁N₅O₄S

tert-Butyl-4-(6-(4-(hydroxymethyl)thiazol-2-yl)-2-(phenylamino) quinazolin-7-yloxy)piperidin-1-carboxylate chemical structure, C28H31N5O4S, CAS 1202035-99-1

tert-Butyl-4-(6-(4-(hydroxymethyl)thiazol-2-yl)-2-(phenylamino) quinazolin-7-yloxy)piperidin-1-carboxylate1202035-99-1C₂₈H₃₁N₅O₄S

(S)-Benzyl 3-(ethyl(7-tosyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidine-1-carboxylate chemical structure, C28H31N5O4S, CAS 1374242-21-3

(S)-Benzyl 3-(ethyl(7-tosyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidine-1-carboxylate1374242-21-3C₂₈H₃₁N₅O₄S

Benzyl 3-(ethyl(7-tosyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidine-1-carboxylate chemical structure, C28H31N5O4S, CAS 1374242-31-5

Benzyl 3-(ethyl(7-tosyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidine-1-carboxylate1374242-31-5C₂₈H₃₁N₅O₄S

Frequently asked questions

Quick answers about LB-30870, based on the data on this page

What is LB-30870?

LB-30870 is a chemical substance with the molecular formula C28H31N5O4S and a molar mass of 533.65 g/mol. Its CAS registry number is 280780-95-2. The IUPAC name is 2-[[(2R)-1-[(2S)-2-[(5-carbamimidoylthiophen-2-yl)methylcarbamoyl]pyrrolidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]amino]acetic acid.

What is the CAS number of LB-30870?

The CAS registry number of LB-30870 is 280780-95-2.

What is the molecular formula and weight of LB-30870?

The molecular formula of LB-30870 is C28H31N5O4S and its molar mass is 533.65 g/mol.

Is LB-30870 hazardous?

No GHS hazard classification for LB-30870 is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of LB-30870?

LB-30870 is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy LB-30870?

Post a free request on CompoundList and suppliers of LB-30870 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of LB-30870?

Suppliers quote LB-30870 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle LB-30870

LB-30870

Key facts

What is LB-30870?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

LB-30870 suppliers

LB-30870 price

Uses and applications

Regulatory status

HS code and trade data

Global trade

Frequently asked questions

What is LB-30870?

What is the CAS number of LB-30870?

What is the molecular formula and weight of LB-30870?

Is LB-30870 hazardous?

What is the HS code of LB-30870?

Where can I buy LB-30870?

What is the price of LB-30870?

Guides for buyers

Get quotes for LB-30870

Key facts

What is LB-30870?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

LB-30870 suppliers

LB-30870 price

Uses and applications

Regulatory status

HS code and trade data

Global trade

Related chemicals

Stereoisomers and isotopic forms

Same formula isomers

Frequently asked questions

What is LB-30870?

What is the CAS number of LB-30870?

What is the molecular formula and weight of LB-30870?

Is LB-30870 hazardous?

What is the HS code of LB-30870?

Where can I buy LB-30870?

What is the price of LB-30870?

Guides for buyers

Get quotes for LB-30870