M303-9101 Screening compound: N-[(2-chlorophenyl)methyl]-2-methyl-1-[2-(phenylcarbamoyl)ethyl]-1H-1,3-benzodiazole-5-carboxamide

M303-9101 Screening compound: N-[(2-chlorophenyl)methyl]-2-methyl-1-[2-(phenylcarbamoyl)ethyl]-1H-1,3-benzodiazole-5-carboxamide
M303-9101 Screening compound: N-[(2-chlorophenyl)methyl]-2-methyl-1-[2-(phenylcarbamoyl)ethyl]-1H-1,3-benzodiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M303-9101
N-[(2-chlorophenyl)methyl]-2-methyl-1-[2-(phenylcarbamoyl)ethyl]-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

M303-9101

Molecular Formula

C25H23ClN4O2 (C25 H23 ClN4 O2)

Compound Name

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

IUPAC name

N-[(2-chlorophenyl)methyl]-2-methyl-1-[2-(phenylcarbamoyl)ethyl]-1H-13-benzodiazole-5-carboxamide

SMILES

Cc1nc(cc(cc2)C(NCc(cccc3)c3Cl)=O)c2n1CCC(Nc1ccccc1)=O

InChI

InChI=1S/C25H23ClN4O2/c1-17-28-22-15-18(25(32)27-16-19-7-5-6-10-21(19)26)11-12-23(22)30(17)14-13-24(31)29-20-8-3-2-4-9-20/h2-12,15H,13-14,16H2,1H3,(H,27,32)(H,29,31)

InChI Key

AOJUTFZQCVZPBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27535499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.94

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

4.191

Distribution Coefficient, logD

4.190

Water Solubility, LogSw

-4.49

Polar Surface Area

58.485

Acid Dissociation Constant (pKa)

11.75

Base Dissociation Constant (pKb)

4.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

M303-9101 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with M303-9101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M303-9101?
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What is the minimum amount of M303-9101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M303-9101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M303-9101
  • 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 M303-9101 available by request