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Screening compounds

Mpc-0767

Also known as (S)-1-(4-(2-(6-Amino-8-((6-bromobenzo[d][1,3]dioxol-5-yl)thio)-9H-purin-9-yl)ethyl)piperidin-1-yl)-1-oxopropan-2-yl L-alaninate, L-Alanine, (1S)-2-(4-(2-(6-amino-8-((6-bromo-1,3-benzodioxol-5-yl)thio)-9H-purin-9-yl)ethyl)-1-piperidinyl)-1-methyl-2-oxoethyl ester, (S)-1-(4-(2-(6-Amino-8-((6-bromobenzo(d)(1,3)dioxol-5-yl)thio)-9H-purin-9-yl)ethyl)piperidin-1-yl)-1-oxopropan-2-yl L-alaninate

CAS 1310540-31-8Formula C25H30BrN7O5SMolar mass 620.53 g/mol
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Mpc-0767 chemical structure, C25H30BrN7O5S, CAS 1310540-31-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1310540-31-8
Formula
C25H30BrN7O5S
Molar mass
620.53 g/mol
HS code
293499
Category
Screening compounds

What is Mpc-0767?

Plain description, key identifiers and synonyms

Mpc-0767 is a chemical substance with the molecular formula C25H30BrN7O5S and a molar mass of 620.53 g/mol. Its CAS registry number is 1310540-31-8. The IUPAC name is [(2S)-1-[4-[2-[6-amino-8-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]ethyl]piperidin-1-yl]-1-oxopropan-2-yl] (2S)-2-aminopropanoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(2S)-1-[4-[2-[6-amino-8-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]ethyl]piperidin-1-yl]-1-oxopropan-2-yl] (2S)-2-aminopropanoate
CAS number
1310540-31-8
Molecular formula
C25H30BrN7O5S
UNII
0K6G1O9YKM
InChIKey
SWZWQKKFNJGOQM-KBPBESRZSA-N
InChI
InChI=1S/C25H30BrN7O5S/c1-13(27)24(35)38-14(2)23(34)32-6-3-15(4-7-32)5-8-33-22-20(21(28)29-11-30-22)31-25(33)39-19-10-18-17(9-16(19)26)36-12-37-18/h9-11,13-15H,3-8,12,27H2,1-2H3,(H2,28,29,30)/t13-,14-/m0/s1
Canonical SMILES
CC(N)C(=O)OC(C)C(=O)N1CCC(CCn2c(Sc3cc4c(cc3Br)OCO4)nc3c(N)ncnc32)CC1
Isomeric SMILES
C[C@@H](C(=O)O[C@@H](C)C(=O)N1CCC(CC1)CCN2C3=NC=NC(=C3N=C2SC4=C(C=C5C(=C4)OCO5)Br)N)N

Synonyms

  • (S)-1-(4-(2-(6-Amino-8-((6-bromobenzo[d][1,3]dioxol-5-yl)thio)-9H-purin-9-yl)ethyl)piperidin-1-yl)-1-oxopropan-2-yl L-alaninate
  • L-Alanine, (1S)-2-(4-(2-(6-amino-8-((6-bromo-1,3-benzodioxol-5-yl)thio)-9H-purin-9-yl)ethyl)-1-piperidinyl)-1-methyl-2-oxoethyl ester
  • (S)-1-(4-(2-(6-Amino-8-((6-bromobenzo(d)(1,3)dioxol-5-yl)thio)-9H-purin-9-yl)ethyl)piperidin-1-yl)-1-oxopropan-2-yl L-alaninate
  • (S)-1-(4-(2-(6-Amino-8-((6-bromobenzo(d)(1,3)dioxol-5-yl)thio)- 9H-purin-9-yl)ethyl)piperidin-1-yl)-1-oxopropan-2-yl L-alaninate

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
620.53 g/molcalc.
Exact mass
619.1213 Dacalc.
LogP (octanol/water)
2.96calc.
Topological polar surface area
160.7 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
11calc.
Rotatable bonds
8calc.
Heavy atoms
39calc.
Rings
5calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.48calc.
Formal charge
0calc.
Stereocentres
2calc.
Lipinski rule of five
Fails (2 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, c1ncc2nc(Sc3ccc4c(c3)OCO4)n(CCC3CCNCC3)c2n1

c1ncc2nc(Sc3ccc4c(c3)OCO4)n(CCC3CCNCC3)c2n1

5 rings, 27 atoms.

3 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.

Mpc-0767 suppliers

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Mpc-0767 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 Mpc-0767 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
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Mpc-0767 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Mpc-0767, based on the data on this page

What is Mpc-0767?

Mpc-0767 is a chemical substance with the molecular formula C25H30BrN7O5S and a molar mass of 620.53 g/mol. Its CAS registry number is 1310540-31-8. The IUPAC name is [(2S)-1-[4-[2-[6-amino-8-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]ethyl]piperidin-1-yl]-1-oxopropan-2-yl] (2S)-2-aminopropanoate.

What is the CAS number of Mpc-0767?

The CAS registry number of Mpc-0767 is 1310540-31-8.

What is the molecular formula and weight of Mpc-0767?

The molecular formula of Mpc-0767 is C25H30BrN7O5S and its molar mass is 620.53 g/mol.

What is Mpc-0767 used for?

Known uses and roles of Mpc-0767 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Mpc-0767 hazardous?

No GHS hazard classification for Mpc-0767 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 Mpc-0767?

Mpc-0767 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 Mpc-0767?

Post a free request on CompoundList and suppliers of Mpc-0767 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Mpc-0767?

Suppliers quote Mpc-0767 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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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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