C386-0518 Screening compound: 2-(7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)-N-(2,4-dimethylphenyl)acetamide

C386-0518 Screening compound: 2-(7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)-N-(2,4-dimethylphenyl)acetamide
C386-0518 Screening compound: 2-(7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)-N-(2,4-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C386-0518
2-(7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)-N-(2,4-dimethylphenyl)acetamide

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

C386-0518

Molecular Formula

C25H22ClN3O2 (C25 H22 ClN3 O2)

Compound Name

2-(7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)-N-(2,4-dimethylphenyl)acetamide

IUPAC name

2-(7-chloro-2-oxo-5-phenyl-23-dihydro-1H-14-benzodiazepin-1-yl)-N-(24-dimethylphenyl)acetamide

SMILES

Cc(cc1)cc(C)c1NC(CN(c(ccc(Cl)c1)c1C(c1ccccc1)=NC1)C1=O)=O

InChI

InChI=1S/C25H22ClN3O2/c1-16-8-10-21(17(2)12-16)28-23(30)15-29-22-11-9-19(26)13-20(22)25(27-14-24(29)31)18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3,(H,28,30)

InChI Key

LBPJVMVZWGQUNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14755243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.92

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.363

Distribution Coefficient, logD

4.363

Water Solubility, LogSw

-4.53

Polar Surface Area

46.393

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

C386-0518 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C386-0518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C386-0518?
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What is the minimum amount of C386-0518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C386-0518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C386-0518
  • 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 C386-0518 available by request