C902-0488 Screening compound: 5-benzoyl-N2-(5-chloro-2-methylphenyl)-3-(ethanesulfonyl)thiophene-2,4-diamine

C902-0488 Screening compound: 5-benzoyl-N2-(5-chloro-2-methylphenyl)-3-(ethanesulfonyl)thiophene-2,4-diamine
C902-0488 Screening compound: 5-benzoyl-N2-(5-chloro-2-methylphenyl)-3-(ethanesulfonyl)thiophene-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound C902-0488
5-benzoyl-N2-(5-chloro-2-methylphenyl)-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

C902-0488

Molecular Formula

C20H19ClN2O3S2 (C20 H19 ClN2 O3 S2)

Compound Name

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

IUPAC name

5-benzoyl-N2-(5-chloro-2-methylphenyl)-3-(ethanesulfonyl)thiophene-24-diamine

SMILES

CCS(c1c(Nc2c(C)ccc(Cl)c2)sc(C(c2ccccc2)=O)c1N)(=O)=O

InChI

InChI=1S/C20H19ClN2O3S2/c1-3-28(25,26)19-16(22)18(17(24)13-7-5-4-6-8-13)27-20(19)23-15-11-14(21)10-9-12(15)2/h4-11,23H,3,22H2,1-2H3

InChI Key

RFBMCXBNFFNIDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07655192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.97

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

4.342

Distribution Coefficient, logD

4.342

Water Solubility, LogSw

-4.56

Polar Surface Area

70.137

Acid Dissociation Constant (pKa)

16.20

Base Dissociation Constant (pKb)

-3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

C902-0488 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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 C902-0488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C902-0488?
Check Price and Availability of C902-0488, 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 C902-0488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C902-0488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C902-0488
  • 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 C902-0488 available by request