C076-0692 Screening compound: 7-chloro-4-(3,4-dimethylbenzoyl)-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

C076-0692 Screening compound: 7-chloro-4-(3,4-dimethylbenzoyl)-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
C076-0692 Screening compound: 7-chloro-4-(3,4-dimethylbenzoyl)-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C076-0692
7-chloro-4-(3,4-dimethylbenzoyl)-5-(4-fluorophenyl)-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

C076-0692

Molecular Formula

C24H20ClFN2O2 (C24 H20 ClFN2 O2)

Compound Name

7-chloro-4-(3,4-dimethylbenzoyl)-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

IUPAC name

7-chloro-4-(34-dimethylbenzoyl)-5-(4-fluorophenyl)-2345-tetrahydro-1H-14-benzodiazepin-2-one

SMILES

Cc(cc1)c(C)cc1C(N(C1)C(c(cc2)ccc2F)c(cc(cc2)Cl)c2NC1=O)=O

InChI

InChI=1S/C24H20ClFN2O2/c1-14-3-4-17(11-15(14)2)24(30)28-13-22(29)27-21-10-7-18(25)12-20(21)23(28)16-5-8-19(26)9-6-16/h3-12,23H,13H2,1-2H3,(H,27,29)/t23-/m0/s1

InChI Key

BBNUFGFYZXSBHM-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD04455332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.89

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

5.466

Distribution Coefficient, logD

5.466

Water Solubility, LogSw

-6.15

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

16.70

C076-0692 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C076-0692 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C076-0692?
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What is the minimum amount of C076-0692 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C076-0692
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C076-0692
  • 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 C076-0692 available by request