C076-0660 Screening compound: 4-[(5-bromo-2-furyl)carbonyl]-7-chloro-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one

C076-0660 Screening compound: 4-[(5-bromo-2-furyl)carbonyl]-7-chloro-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
C076-0660 Screening compound: 4-[(5-bromo-2-furyl)carbonyl]-7-chloro-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C076-0660
4-[(5-bromo-2-furyl)carbonyl]-7-chloro-5-phenyl-1,3,4,5-tetrahydro-2H-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

C076-0660

Molecular Formula

C20H14BrClN2O3 (C20 H14 BrClN2 O3)

Compound Name

4-[(5-bromo-2-furyl)carbonyl]-7-chloro-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one

IUPAC name

n/a

SMILES

O=C(c(o1)ccc1Br)N(C1)C(c2ccccc2)c(cc(cc2)Cl)c2NC1=O

InChI

InChI=1S/C20H14BrClN2O3/c21-17-9-8-16(27-17)20(26)24-11-18(25)23-15-7-6-13(22)10-14(15)19(24)12-4-2-1-3-5-12/h1-10,19H,11H2,(H,23,25)/t19-/m0/s1

InChI Key

SWNAZEZCJVDZBQ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD04455271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.7

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.605

Distribution Coefficient, logD

4.605

Water Solubility, LogSw

-4.83

Polar Surface Area

49.952

Acid Dissociation Constant (pKa)

12.09

Base Dissociation Constant (pKb)

-2.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.00

C076-0660 in Drug Discovery

Included in Screening Libraries

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)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C076-0660 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C076-0660?
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What is the minimum amount of C076-0660 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C076-0660
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C076-0660
  • 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 C076-0660 available by request