C908-0082 Screening compound: methyl 3-(4-methylbenzamido)-5-phenylthiophene-2-carboxylate

C908-0082 Screening compound: methyl 3-(4-methylbenzamido)-5-phenylthiophene-2-carboxylate
C908-0082 Screening compound: methyl 3-(4-methylbenzamido)-5-phenylthiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C908-0082
methyl 3-(4-methylbenzamido)-5-phenylthiophene-2-carboxylate

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

C908-0082

Molecular Formula

C20H17NO3S (C20 H17 NO3 S)

Compound Name

methyl 3-(4-methylbenzamido)-5-phenylthiophene-2-carboxylate

IUPAC name

methyl 3-(4-methylbenzamido)-5-phenylthiophene-2-carboxylate

SMILES

Cc(cc1)ccc1C(Nc1c(C(OC)=O)sc(-c2ccccc2)c1)=O

InChI

InChI=1S/C20H17NO3S/c1-13-8-10-15(11-9-13)19(22)21-16-12-17(14-6-4-3-5-7-14)25-18(16)20(23)24-2/h3-12H,1-2H3,(H,21,22)

InChI Key

AIGQIFXRHDPEKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04418026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.917

Distribution Coefficient, logD

4.873

Water Solubility, LogSw

-4.71

Polar Surface Area

44.552

Acid Dissociation Constant (pKa)

8.38

Base Dissociation Constant (pKb)

-8.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

C908-0082 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C908-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C908-0082?
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What is the minimum amount of C908-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C908-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C908-0082
  • 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 C908-0082 available by request