C902-0693 Screening compound: 5-(4-chlorobenzoyl)-N2-(4-ethoxyphenyl)-3-(propane-1-sulfonyl)thiophene-2,4-diamine

C902-0693 Screening compound: 5-(4-chlorobenzoyl)-N2-(4-ethoxyphenyl)-3-(propane-1-sulfonyl)thiophene-2,4-diamine
C902-0693 Screening compound: 5-(4-chlorobenzoyl)-N2-(4-ethoxyphenyl)-3-(propane-1-sulfonyl)thiophene-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound C902-0693
5-(4-chlorobenzoyl)-N2-(4-ethoxyphenyl)-3-(propane-1-sulfonyl)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

C902-0693

Molecular Formula

C22H23ClN2O4S2 (C22 H23 ClN2 O4 S2)

Compound Name

5-(4-chlorobenzoyl)-N2-(4-ethoxyphenyl)-3-(propane-1-sulfonyl)thiophene-2,4-diamine

IUPAC name

5-(4-chlorobenzoyl)-N2-(4-ethoxyphenyl)-3-(propane-1-sulfonyl)thiophene-24-diamine

SMILES

CCCS(c1c(Nc(cc2)ccc2OCC)sc(C(c(cc2)ccc2Cl)=O)c1N)(=O)=O

InChI

InChI=1S/C22H23ClN2O4S2/c1-3-13-31(27,28)21-18(24)20(19(26)14-5-7-15(23)8-6-14)30-22(21)25-16-9-11-17(12-10-16)29-4-2/h5-12,25H,3-4,13,24H2,1-2H3

InChI Key

AYRCGWOZDJWTBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14807274

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.02

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.149

Distribution Coefficient, logD

5.149

Water Solubility, LogSw

-5.60

Polar Surface Area

77.958

Acid Dissociation Constant (pKa)

18.00

Base Dissociation Constant (pKb)

-3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C902-0693 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C902-0693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C902-0693?
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What is the minimum amount of C902-0693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C902-0693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C902-0693
  • 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 C902-0693 available by request