C902-0557 Screening compound: 5-benzoyl-N2-(3-chloro-4-fluorophenyl)-3-(ethanesulfonyl)thiophene-2,4-diamine

C902-0557 Screening compound: 5-benzoyl-N2-(3-chloro-4-fluorophenyl)-3-(ethanesulfonyl)thiophene-2,4-diamine
C902-0557 Screening compound: 5-benzoyl-N2-(3-chloro-4-fluorophenyl)-3-(ethanesulfonyl)thiophene-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound C902-0557
5-benzoyl-N2-(3-chloro-4-fluorophenyl)-3-(ethanesulfonyl)thiophene-2,4-diamine

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

C902-0557

Molecular Formula

C19H16ClFN2O3S2 (C19 H16 ClFN2 O3 S2)

Compound Name

5-benzoyl-N2-(3-chloro-4-fluorophenyl)-3-(ethanesulfonyl)thiophene-2,4-diamine

IUPAC name

5-benzoyl-N2-(3-chloro-4-fluorophenyl)-3-(ethanesulfonyl)thiophene-24-diamine

SMILES

CCS(c1c(Nc(cc2)cc(Cl)c2F)sc(C(c2ccccc2)=O)c1N)(=O)=O

InChI

InChI=1S/C19H16ClFN2O3S2/c1-2-28(25,26)18-15(22)17(16(24)11-6-4-3-5-7-11)27-19(18)23-12-8-9-14(21)13(20)10-12/h3-10,23H,2,22H2,1H3

InChI Key

ZJYNOZFPSRHBKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07655571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.356

Distribution Coefficient, logD

4.356

Water Solubility, LogSw

-4.43

Polar Surface Area

70.835

Acid Dissociation Constant (pKa)

14.65

Base Dissociation Constant (pKb)

-3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

C902-0557 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C902-0557 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C902-0557?
Check Price and Availability of C902-0557, 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 C902-0557 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C902-0557
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C902-0557
  • 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 C902-0557 available by request