C076-0467 Screening compound: 7-fluoro-5-(4-fluorophenyl)-4-[3-(trifluoromethyl)benzoyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

C076-0467 Screening compound: 7-fluoro-5-(4-fluorophenyl)-4-[3-(trifluoromethyl)benzoyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
C076-0467 Screening compound: 7-fluoro-5-(4-fluorophenyl)-4-[3-(trifluoromethyl)benzoyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C076-0467
7-fluoro-5-(4-fluorophenyl)-4-[3-(trifluoromethyl)benzoyl]-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

C076-0467

Molecular Formula

C23H15F5N2O2 (C23 H15 F5 N2 O2)

Compound Name

7-fluoro-5-(4-fluorophenyl)-4-[3-(trifluoromethyl)benzoyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

IUPAC name

7-fluoro-5-(4-fluorophenyl)-4-[3-(trifluoromethyl)benzoyl]-2345-tetrahydro-1H-14-benzodiazepin-2-one

SMILES

O=C(c1cc(C(F)(F)F)ccc1)N(C1)C(c(cc2)ccc2F)c(cc(cc2)F)c2NC1=O

InChI

InChI=1S/C23H15F5N2O2/c24-16-6-4-13(5-7-16)21-18-11-17(25)8-9-19(18)29-20(31)12-30(21)22(32)14-2-1-3-15(10-14)23(26,27)28/h1-11,21H,12H2,(H,29,31)/t21-/m0/s1

InChI Key

LKNKRXZVAHPYSI-NRFANRHFSA-N

MDL Number (MFCD)

MFCD04455465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.730

Distribution Coefficient, logD

4.730

Water Solubility, LogSw

-4.79

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

13.00

C076-0467 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Eccentric PPI Library (11937 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with C076-0467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C076-0467?
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What is the minimum amount of C076-0467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C076-0467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C076-0467
  • 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 C076-0467 available by request