C076-0679 Screening compound: 4-(2-bromobenzoyl)-7-chloro-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

C076-0679 Screening compound: 4-(2-bromobenzoyl)-7-chloro-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
C076-0679 Screening compound: 4-(2-bromobenzoyl)-7-chloro-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C076-0679
4-(2-bromobenzoyl)-7-chloro-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

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

C076-0679

Molecular Formula

C22H16BrClN2O2 (C22 H16 BrClN2 O2)

Compound Name

4-(2-bromobenzoyl)-7-chloro-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

IUPAC name

4-(2-bromobenzoyl)-7-chloro-5-phenyl-2345-tetrahydro-1H-14-benzodiazepin-2-one

SMILES

O=C(c(cccc1)c1Br)N(C1)C(c2ccccc2)c(cc(cc2)Cl)c2NC1=O

InChI

InChI=1S/C22H16BrClN2O2/c23-18-9-5-4-8-16(18)22(28)26-13-20(27)25-19-11-10-15(24)12-17(19)21(26)14-6-2-1-3-7-14/h1-12,21H,13H2,(H,25,27)/t21-/m0/s1

InChI Key

ODXJVFWKUKLIOA-NRFANRHFSA-N

MDL Number (MFCD)

MFCD04455303

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.74

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.921

Distribution Coefficient, logD

4.921

Water Solubility, LogSw

-4.99

Polar Surface Area

41.026

Acid Dissociation Constant (pKa)

12.12

Base Dissociation Constant (pKb)

-2.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.10

C076-0679 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Macl-GPIb alpha Interaction Library (22969 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
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C076-0679 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C076-0679?
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What is the minimum amount of C076-0679 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C076-0679
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C076-0679
  • 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 C076-0679 available by request