M303-9526 Screening compound: 1-[2-(cyclohexylcarbamoyl)ethyl]-2-methyl-N-[(2-methylphenyl)methyl]-1H-1,3-benzodiazole-5-carboxamide

M303-9526 Screening compound: 1-[2-(cyclohexylcarbamoyl)ethyl]-2-methyl-N-[(2-methylphenyl)methyl]-1H-1,3-benzodiazole-5-carboxamide
M303-9526 Screening compound: 1-[2-(cyclohexylcarbamoyl)ethyl]-2-methyl-N-[(2-methylphenyl)methyl]-1H-1,3-benzodiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M303-9526
1-[2-(cyclohexylcarbamoyl)ethyl]-2-methyl-N-[(2-methylphenyl)methyl]-1H-1,3-benzodiazole-5-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

M303-9526

Molecular Formula

C26H32N4O2 (C26 H32 N4 O2)

Compound Name

1-[2-(cyclohexylcarbamoyl)ethyl]-2-methyl-N-[(2-methylphenyl)methyl]-1H-1,3-benzodiazole-5-carboxamide

IUPAC name

1-[2-(cyclohexylcarbamoyl)ethyl]-2-methyl-N-[(2-methylphenyl)methyl]-1H-13-benzodiazole-5-carboxamide

SMILES

Cc1nc(cc(cc2)C(NCc3c(C)cccc3)=O)c2n1CCC(NC1CCCCC1)=O

InChI

InChI=1S/C26H32N4O2/c1-18-8-6-7-9-21(18)17-27-26(32)20-12-13-24-23(16-20)28-19(2)30(24)15-14-25(31)29-22-10-4-3-5-11-22/h6-9,12-13,16,22H,3-5,10-11,14-15,17H2,1-2H3,(H,27,32)(H,29,31)

InChI Key

JGKLFAYRVWUONW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27535501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.533

Distribution Coefficient, logD

4.532

Water Solubility, LogSw

-4.21

Polar Surface Area

59.533

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

4.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

M303-9526 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Epigenetics Focused Set (26518 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with M303-9526 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M303-9526?
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What is the minimum amount of M303-9526 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M303-9526
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M303-9526
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of M303-9526 available by request