C076-0690 Screening compound: 7-chloro-4-(2-chloro-6-fluorobenzoyl)-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

C076-0690 Screening compound: 7-chloro-4-(2-chloro-6-fluorobenzoyl)-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
C076-0690 Screening compound: 7-chloro-4-(2-chloro-6-fluorobenzoyl)-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C076-0690
7-chloro-4-(2-chloro-6-fluorobenzoyl)-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

C076-0690

Molecular Formula

C22H14Cl2F2N2O2 (C22 H14 Cl2 F2 N2 O2)

Compound Name

7-chloro-4-(2-chloro-6-fluorobenzoyl)-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

IUPAC name

7-chloro-4-(2-chloro-6-fluorobenzoyl)-5-(4-fluorophenyl)-2345-tetrahydro-1H-14-benzodiazepin-2-one

SMILES

O=C(c(c(F)ccc1)c1Cl)N(C1)C(c(cc2)ccc2F)c(cc(cc2)Cl)c2NC1=O

InChI

InChI=1S/C22H14Cl2F2N2O2/c23-13-6-9-18-15(10-13)21(12-4-7-14(25)8-5-12)28(11-19(29)27-18)22(30)20-16(24)2-1-3-17(20)26/h1-10,21H,11H2,(H,27,29)/t21-/m0/s1

InChI Key

KOEPJWFYTXZBPY-NRFANRHFSA-N

MDL Number (MFCD)

MFCD04455329

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.27

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

4.962

Distribution Coefficient, logD

4.962

Water Solubility, LogSw

-5.40

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

C076-0690 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

BRD4 Targeted Library (4534 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
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Others
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C076-0690 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C076-0690?
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What is the minimum amount of C076-0690 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C076-0690
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C076-0690
  • 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 C076-0690 available by request