C076-0157 Screening compound: 7-bromo-4-(5-bromofuran-2-carbonyl)-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

C076-0157 Screening compound: 7-bromo-4-(5-bromofuran-2-carbonyl)-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
C076-0157 Screening compound: 7-bromo-4-(5-bromofuran-2-carbonyl)-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C076-0157
7-bromo-4-(5-bromofuran-2-carbonyl)-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

C076-0157

Molecular Formula

C20H13Br2FN2O3 (C20 H13 Br2 FN2 O3)

Compound Name

7-bromo-4-(5-bromofuran-2-carbonyl)-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

IUPAC name

7-bromo-4-(5-bromofuran-2-carbonyl)-5-(4-fluorophenyl)-2345-tetrahydro-1H-14-benzodiazepin-2-one

SMILES

O=C(c(o1)ccc1Br)N(C1)C(c(cc2)ccc2F)c(cc(cc2)Br)c2NC1=O

InChI

InChI=1S/C20H13Br2FN2O3/c21-12-3-6-15-14(9-12)19(11-1-4-13(23)5-2-11)25(10-18(26)24-15)20(27)16-7-8-17(22)28-16/h1-9,19H,10H2,(H,24,26)/t19-/m0/s1

InChI Key

NSJHYOOPPWXCQZ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD04455157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.14

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

4.757

Distribution Coefficient, logD

4.757

Water Solubility, LogSw

-4.77

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

C076-0157 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 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 C076-0157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C076-0157?
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What is the minimum amount of C076-0157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C076-0157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C076-0157
  • 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 C076-0157 available by request