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Screening compounds

Orb691977

Also known as GSK-3008348 HCl?, GSK 3008348

Formula C29H37N5O2Molar mass 487.65 g/mol
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Orb691977 chemical structure, C29H37N5O2
2D chemical structure

Key facts

What buyers check first

All properties
Formula
C29H37N5O2
Molar mass
487.65 g/mol
HS code
293319
Category
Screening compounds

What is Orb691977?

Plain description, key identifiers and synonyms

Orb691977 is a chemical substance with the molecular formula C29H37N5O2 and a molar mass of 487.65 g/mol. The IUPAC name is (3S)-3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-[(3S)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]butanoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S)-3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-[(3S)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]butanoic acid
Molecular formula
C29H37N5O2
InChIKey
ZMXBIIQMSGOIRZ-WIOPSUGQSA-N
InChI
InChI=1S/C29H37N5O2/c1-20-15-21(2)34(32-20)27-7-3-5-24(16-27)25(17-28(35)36)19-33-14-12-22(18-33)8-10-26-11-9-23-6-4-13-30-29(23)31-26/h3,5,7,9,11,15-16,22,25H,4,6,8,10,12-14,17-19H2,1-2H3,(H,30,31)(H,35,36)/t22-,25+/m0/s1
Canonical SMILES
Cc1cc(C)n(-c2cccc(C(CC(=O)O)CN3CCC(CCc4ccc5c(n4)NCCC5)C3)c2)n1
Isomeric SMILES
CC1=CC(=NN1C2=CC=CC(=C2)[C@H](CC(=O)O)CN3CC[C@@H](C3)CCC4=NC5=C(CCCN5)C=C4)C

Synonyms

  • GSK-3008348 HCl?
  • GSK 3008348

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
487.65 g/molcalc.
Exact mass
487.2947 Dacalc.
LogP (octanol/water)
4.76calc.
Topological polar surface area
83.28 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
9calc.
Heavy atoms
36calc.
Rings
5calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.48calc.
Formal charge
0calc.
Stereocentres
2calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1cc(CCN2CCC(CCc3ccc4c(n3)NCCC4)C2)cc(-n2cccn2)c1

c1cc(CCN2CCC(CCc3ccc4c(n3)NCCC4)C2)cc(-n2cccn2)c1

5 rings, 30 atoms.

4 other chemicals 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.

Orb691977 suppliers

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Orb691977 price

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Uses and applications

What the substance is used for, by industry and function

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 Orb691977 is traded under.

HS 2933.19Indicative HS code

Compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the…

World exports in 2024
$3.44B
−22.6% vs 2023, imports $6.66B
2019 to 2024
Top exporters
  1. China21.6%
  2. Switzerland * partner reported20.5%
  3. Germany19.0%
Top importers
  1. Slovenia38.4%
  2. Portugal14.1%
  3. Brazil13.0%

* Partner reported figures, a lower bound.

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

The HS code shown for Orb691977 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb691977, based on the data on this page

What is Orb691977?

Orb691977 is a chemical substance with the molecular formula C29H37N5O2 and a molar mass of 487.65 g/mol. The IUPAC name is (3S)-3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-[(3S)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]butanoic acid.

What is the molecular formula and weight of Orb691977?

The molecular formula of Orb691977 is C29H37N5O2 and its molar mass is 487.65 g/mol.

What is Orb691977 used for?

Known uses and roles of Orb691977 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb691977 hazardous?

No GHS hazard classification for Orb691977 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 Orb691977?

Orb691977 is usually classified under HS code 293319 (Compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb691977?

Post a free request on CompoundList and suppliers of Orb691977 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb691977?

Suppliers quote Orb691977 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 Orb691977

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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