C902-0400 Screening compound: 5-benzoyl-N2-(4-ethoxyphenyl)-3-methanesulfonylthiophene-2,4-diamine

C902-0400 Screening compound: 5-benzoyl-N2-(4-ethoxyphenyl)-3-methanesulfonylthiophene-2,4-diamine
C902-0400 Screening compound: 5-benzoyl-N2-(4-ethoxyphenyl)-3-methanesulfonylthiophene-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound C902-0400
5-benzoyl-N2-(4-ethoxyphenyl)-3-methanesulfonylthiophene-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

C902-0400

Molecular Formula

C20H20N2O4S2 (C20 H20 N2 O4 S2)

Compound Name

5-benzoyl-N2-(4-ethoxyphenyl)-3-methanesulfonylthiophene-2,4-diamine

IUPAC name

5-benzoyl-N2-(4-ethoxyphenyl)-3-methanesulfonylthiophene-24-diamine

SMILES

CCOc(cc1)ccc1Nc(sc(C(c1ccccc1)=O)c1N)c1S(C)(=O)=O

InChI

InChI=1S/C20H20N2O4S2/c1-3-26-15-11-9-14(10-12-15)22-20-19(28(2,24)25)16(21)18(27-20)17(23)13-7-5-4-6-8-13/h4-12,22H,3,21H2,1-2H3

InChI Key

ARUBIJURPFSOAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14807259

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.301

Distribution Coefficient, logD

3.301

Water Solubility, LogSw

-3.58

Polar Surface Area

78.671

Acid Dissociation Constant (pKa)

18.00

Base Dissociation Constant (pKb)

-3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

C902-0400 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 C902-0400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C902-0400?
Check Price and Availability of C902-0400, 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 C902-0400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C902-0400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C902-0400
  • 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 C902-0400 available by request