C698-0332 Screening compound: N~7~-[4-chloro-3-(trifluoromethyl)phenyl]-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonamide

C698-0332 Screening compound: N~7~-[4-chloro-3-(trifluoromethyl)phenyl]-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonamide
C698-0332 Screening compound: N~7~-[4-chloro-3-(trifluoromethyl)phenyl]-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C698-0332
N~7~-[4-chloro-3-(trifluoromethyl)phenyl]-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-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

C698-0332

Molecular Formula

C16H11ClF3N3O4S (C16 H11 ClF3 N3 O4 S)

Compound Name

N~7~-[4-chloro-3-(trifluoromethyl)phenyl]-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonamide

IUPAC name

N-[4-chloro-3-(trifluoromethyl)phenyl]-24-dioxo-2345-tetrahydro-1H-15-benzodiazepine-7-sulfonamide

SMILES

O=C(C1)Nc(ccc(S(Nc(cc2)cc(C(F)(F)F)c2Cl)(=O)=O)c2)c2NC1=O

InChI

InChI=1S/C16H11ClF3N3O4S/c17-11-3-1-8(5-10(11)16(18,19)20)23-28(26,27)9-2-4-12-13(6-9)22-15(25)7-14(24)21-12/h1-6,23H,7H2,(H,21,24)(H,22,25)

InChI Key

NNLOVRCQQOPXIQ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.8

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.242

Distribution Coefficient, logD

0.142

Water Solubility, LogSw

-3.58

Polar Surface Area

90.940

Acid Dissociation Constant (pKa)

5.30

Base Dissociation Constant (pKb)

-2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C698-0332 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epigenetics Focused Set (26518 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C698-0332 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C698-0332?
Check Price and Availability of C698-0332, 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 C698-0332 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C698-0332
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C698-0332
  • 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 C698-0332 available by request