C902-0694 Screening compound: N2-(4-ethoxyphenyl)-5-(4-methylbenzoyl)-3-(propane-1-sulfonyl)thiophene-2,4-diamine

C902-0694 Screening compound: N2-(4-ethoxyphenyl)-5-(4-methylbenzoyl)-3-(propane-1-sulfonyl)thiophene-2,4-diamine
C902-0694 Screening compound: N2-(4-ethoxyphenyl)-5-(4-methylbenzoyl)-3-(propane-1-sulfonyl)thiophene-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound C902-0694
N2-(4-ethoxyphenyl)-5-(4-methylbenzoyl)-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

C902-0694

Molecular Formula

C23H26N2O4S2 (C23 H26 N2 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CCCS(c1c(Nc(cc2)ccc2OCC)sc(C(c2ccc(C)cc2)=O)c1N)(=O)=O

InChI

InChI=1S/C23H26N2O4S2/c1-4-14-31(27,28)22-19(24)21(20(26)16-8-6-15(3)7-9-16)30-23(22)25-17-10-12-18(13-11-17)29-5-2/h6-13,25H,4-5,14,24H2,1-3H3

InChI Key

BCJCSXVWUDDHFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07655273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.6

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

4.978

Distribution Coefficient, logD

4.978

Water Solubility, LogSw

-4.66

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

26.10

C902-0694 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 C902-0694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C902-0694?
Check Price and Availability of C902-0694, 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 C902-0694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C902-0694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C902-0694
  • 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 C902-0694 available by request