C902-0517 Screening compound: 3-(ethanesulfonyl)-N2-(2-ethyl-6-methylphenyl)-5-(4-methylbenzoyl)thiophene-2,4-diamine

C902-0517 Screening compound: 3-(ethanesulfonyl)-N2-(2-ethyl-6-methylphenyl)-5-(4-methylbenzoyl)thiophene-2,4-diamine
C902-0517 Screening compound: 3-(ethanesulfonyl)-N2-(2-ethyl-6-methylphenyl)-5-(4-methylbenzoyl)thiophene-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound C902-0517
3-(ethanesulfonyl)-N2-(2-ethyl-6-methylphenyl)-5-(4-methylbenzoyl)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

C902-0517

Molecular Formula

C23H26N2O3S2 (C23 H26 N2 O3 S2)

Compound Name

3-(ethanesulfonyl)-N2-(2-ethyl-6-methylphenyl)-5-(4-methylbenzoyl)thiophene-2,4-diamine

IUPAC name

3-(ethanesulfonyl)-N2-(2-ethyl-6-methylphenyl)-5-(4-methylbenzoyl)thiophene-24-diamine

SMILES

CCc(cccc1C)c1Nc(sc(C(c1ccc(C)cc1)=O)c1N)c1S(CC)(=O)=O

InChI

InChI=1S/C23H26N2O3S2/c1-5-16-9-7-8-15(4)19(16)25-23-22(30(27,28)6-2)18(24)21(29-23)20(26)17-12-10-14(3)11-13-17/h7-13,25H,5-6,24H2,1-4H3

InChI Key

YXMBFYQHAQHYRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08568856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.900

Distribution Coefficient, logD

4.900

Water Solubility, LogSw

-4.71

Polar Surface Area

69.439

Acid Dissociation Constant (pKa)

18.29

Base Dissociation Constant (pKb)

-3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

C902-0517 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 C902-0517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C902-0517?
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What is the minimum amount of C902-0517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C902-0517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C902-0517
  • 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 C902-0517 available by request