C076-0634 Screening compound: 7-bromo-5-phenyl-4-[4-(pyrrolidine-1-sulfonyl)benzoyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

C076-0634 Screening compound: 7-bromo-5-phenyl-4-[4-(pyrrolidine-1-sulfonyl)benzoyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
C076-0634 Screening compound: 7-bromo-5-phenyl-4-[4-(pyrrolidine-1-sulfonyl)benzoyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C076-0634
7-bromo-5-phenyl-4-[4-(pyrrolidine-1-sulfonyl)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

C076-0634

Molecular Formula

C26H24BrN3O4S (C26 H24 BrN3 O4 S)

Compound Name

7-bromo-5-phenyl-4-[4-(pyrrolidine-1-sulfonyl)benzoyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

IUPAC name

7-bromo-5-phenyl-4-[4-(pyrrolidine-1-sulfonyl)benzoyl]-2345-tetrahydro-1H-14-benzodiazepin-2-one

SMILES

O=C(c(cc1)ccc1S(N1CCCC1)(=O)=O)N(C1)C(c2ccccc2)c(cc(cc2)Br)c2NC1=O

InChI

InChI=1S/C26H24BrN3O4S/c27-20-10-13-23-22(16-20)25(18-6-2-1-3-7-18)30(17-24(31)28-23)26(32)19-8-11-21(12-9-19)35(33,34)29-14-4-5-15-29/h1-3,6-13,16,25H,4-5,14-15,17H2,(H,28,31)/t25-/m0/s1

InChI Key

IMQOSNKIKAVTIF-VWLOTQADSA-N

MDL Number (MFCD)

MFCD04455223

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

554.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.434

Distribution Coefficient, logD

4.434

Water Solubility, LogSw

-4.30

Polar Surface Area

73.103

Acid Dissociation Constant (pKa)

12.12

Base Dissociation Constant (pKb)

-2.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

C076-0634 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

KRAS-Targeted Library (16000 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)

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:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with C076-0634 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C076-0634?
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What is the minimum amount of C076-0634 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C076-0634
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C076-0634
  • 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 C076-0634 available by request