C076-0754 Screening compound: 7-fluoro-5-(4-fluorophenyl)-4-(3-methylbenzoyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

C076-0754 Screening compound: 7-fluoro-5-(4-fluorophenyl)-4-(3-methylbenzoyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
C076-0754 Screening compound: 7-fluoro-5-(4-fluorophenyl)-4-(3-methylbenzoyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C076-0754
7-fluoro-5-(4-fluorophenyl)-4-(3-methylbenzoyl)-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

C076-0754

Molecular Formula

C23H18F2N2O2 (C23 H18 F2 N2 O2)

Compound Name

7-fluoro-5-(4-fluorophenyl)-4-(3-methylbenzoyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

IUPAC name

7-fluoro-5-(4-fluorophenyl)-4-(3-methylbenzoyl)-2345-tetrahydro-1H-14-benzodiazepin-2-one

SMILES

Cc1cccc(C(N(C2)C(c(cc3)ccc3F)c(cc(cc3)F)c3NC2=O)=O)c1

InChI

InChI=1S/C23H18F2N2O2/c1-14-3-2-4-16(11-14)23(29)27-13-21(28)26-20-10-9-18(25)12-19(20)22(27)15-5-7-17(24)8-6-15/h2-12,22H,13H2,1H3,(H,26,28)/t22-/m0/s1

InChI Key

TZFJQWHEVUAOES-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD04455428

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.4

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

4.298

Distribution Coefficient, logD

4.298

Water Solubility, LogSw

-4.36

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

13.04

C076-0754 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C076-0754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C076-0754?
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What is the minimum amount of C076-0754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C076-0754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C076-0754
  • 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 C076-0754 available by request