C076-0463 Screening compound: 4-(4-tert-butylbenzoyl)-7-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

C076-0463 Screening compound: 4-(4-tert-butylbenzoyl)-7-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
C076-0463 Screening compound: 4-(4-tert-butylbenzoyl)-7-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C076-0463
4-(4-tert-butylbenzoyl)-7-fluoro-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

C076-0463

Molecular Formula

C26H24F2N2O2 (C26 H24 F2 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c(cc1)ccc1C(N(C1)C(c(cc2)ccc2F)c(cc(cc2)F)c2NC1=O)=O

InChI

InChI=1S/C26H24F2N2O2/c1-26(2,3)18-8-4-17(5-9-18)25(32)30-15-23(31)29-22-13-12-20(28)14-21(22)24(30)16-6-10-19(27)11-7-16/h4-14,24H,15H2,1-3H3,(H,29,31)/t24-/m0/s1

InChI Key

YRQGARKVIQQXCA-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD04455461

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.49

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

5.805

Distribution Coefficient, logD

5.805

Water Solubility, LogSw

-5.54

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

23.10

C076-0463 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Recognition Elements PPI Library (24135 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with C076-0463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C076-0463?
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What is the minimum amount of C076-0463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C076-0463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C076-0463
  • 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 C076-0463 available by request