3772-8167 Screening compound: methyl 2-(3,4-dichlorobenzamido)-4,5-dimethylthiophene-3-carboxylate

3772-8167 Screening compound: methyl 2-(3,4-dichlorobenzamido)-4,5-dimethylthiophene-3-carboxylate
3772-8167 Screening compound: methyl 2-(3,4-dichlorobenzamido)-4,5-dimethylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3772-8167
methyl 2-(3,4-dichlorobenzamido)-4,5-dimethylthiophene-3-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

3772-8167

Molecular Formula

C15H13Cl2NO3S (C15 H13 Cl2 NO3 S)

Compound Name

methyl 2-(3,4-dichlorobenzamido)-4,5-dimethylthiophene-3-carboxylate

IUPAC name

methyl 2-(34-dichlorobenzamido)-45-dimethylthiophene-3-carboxylate

SMILES

Cc1c(C)sc(NC(c(cc2)cc(Cl)c2Cl)=O)c1C(OC)=O

InChI

InChI=1S/C15H13Cl2NO3S/c1-7-8(2)22-14(12(7)15(20)21-3)18-13(19)9-4-5-10(16)11(17)6-9/h4-6H,1-3H3,(H,18,19)

InChI Key

RKZNNGZBXMVTFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02928379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.24

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.584

Distribution Coefficient, logD

-0.930

Water Solubility, LogSw

-5.00

Polar Surface Area

44.298

Acid Dissociation Constant (pKa)

1.89

Base Dissociation Constant (pKb)

-6.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

3772-8167 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3772-8167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3772-8167?
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What is the minimum amount of 3772-8167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3772-8167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3772-8167
  • 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 3772-8167 available by request