C076-0237 Screening compound: 4-[7-bromo-5-(4-fluorophenyl)-2-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-4-carbonyl]-N,N-diethylbenzene-1-sulfonamide

C076-0237 Screening compound: 4-[7-bromo-5-(4-fluorophenyl)-2-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-4-carbonyl]-N,N-diethylbenzene-1-sulfonamide
C076-0237 Screening compound: 4-[7-bromo-5-(4-fluorophenyl)-2-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-4-carbonyl]-N,N-diethylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C076-0237
4-[7-bromo-5-(4-fluorophenyl)-2-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-4-carbonyl]-N,N-diethylbenzene-1-sulfonamide

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

C076-0237

Molecular Formula

C26H25BrFN3O4S (C26 H25 BrFN3 O4 S)

Compound Name

4-[7-bromo-5-(4-fluorophenyl)-2-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-4-carbonyl]-N,N-diethylbenzene-1-sulfonamide

IUPAC name

4-[7-bromo-5-(4-fluorophenyl)-2-oxo-2345-tetrahydro-1H-14-benzodiazepine-4-carbonyl]-NN-diethylbenzene-1-sulfonamide

SMILES

CCN(CC)S(c(cc1)ccc1C(N(C1)C(c(cc2)ccc2F)c(cc(cc2)Br)c2NC1=O)=O)(=O)=O

InChI

InChI=1S/C26H25BrFN3O4S/c1-3-30(4-2)36(34,35)21-12-7-18(8-13-21)26(33)31-16-24(32)29-23-14-9-19(27)15-22(23)25(31)17-5-10-20(28)11-6-17/h5-15,25H,3-4,16H2,1-2H3,(H,29,32)/t25-/m0/s1

InChI Key

ILXHUECDCRBHIA-VWLOTQADSA-N

MDL Number (MFCD)

MFCD04455221

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

574.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.616

Distribution Coefficient, logD

4.616

Water Solubility, LogSw

-4.35

Polar Surface Area

72.122

Acid Dissociation Constant (pKa)

12.12

Base Dissociation Constant (pKb)

-2.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

C076-0237 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C076-0237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C076-0237?
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What is the minimum amount of C076-0237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C076-0237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C076-0237
  • 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 C076-0237 available by request