C076-0239 Screening compound: 4-[7-bromo-5-(4-fluorophenyl)-2-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-4-carbonyl]-N,N-dimethylbenzene-1-sulfonamide

C076-0239 Screening compound: 4-[7-bromo-5-(4-fluorophenyl)-2-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-4-carbonyl]-N,N-dimethylbenzene-1-sulfonamide
C076-0239 Screening compound: 4-[7-bromo-5-(4-fluorophenyl)-2-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-4-carbonyl]-N,N-dimethylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C076-0239
4-[7-bromo-5-(4-fluorophenyl)-2-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-4-carbonyl]-N,N-dimethylbenzene-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

C076-0239

Molecular Formula

C24H21BrFN3O4S (C24 H21 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-dimethylbenzene-1-sulfonamide

IUPAC name

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

SMILES

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

InChI

InChI=1S/C24H21BrFN3O4S/c1-28(2)34(32,33)19-10-5-16(6-11-19)24(31)29-14-22(30)27-21-12-7-17(25)13-20(21)23(29)15-3-8-18(26)9-4-15/h3-13,23H,14H2,1-2H3,(H,27,30)/t23-/m0/s1

InChI Key

TWSPVNUEYCRERL-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD04455222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.42

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

4.030

Distribution Coefficient, logD

4.030

Water Solubility, LogSw

-4.14

Polar Surface Area

74.690

Acid Dissociation Constant (pKa)

12.12

Base Dissociation Constant (pKb)

-2.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

C076-0239 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)

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:
  • 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 C076-0239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C076-0239?
Check Price and Availability of C076-0239, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C076-0239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C076-0239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C076-0239
  • 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 C076-0239 available by request