2732-4426 Screening compound: ethyl 2-(4-chlorobenzamido)-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate

2732-4426 Screening compound: ethyl 2-(4-chlorobenzamido)-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
2732-4426 Screening compound: ethyl 2-(4-chlorobenzamido)-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2732-4426
ethyl 2-(4-chlorobenzamido)-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-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

2732-4426

Molecular Formula

C23H21ClN2O5S (C23 H21 ClN2 O5 S)

Compound Name

ethyl 2-(4-chlorobenzamido)-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate

IUPAC name

ethyl 2-(4-chlorobenzamido)-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c(cc2)ccc2Cl)=O)sc(C(Nc(cc2)ccc2OC)=O)c1C)=O

InChI

InChI=1S/C23H21ClN2O5S/c1-4-31-23(29)18-13(2)19(21(28)25-16-9-11-17(30-3)12-10-16)32-22(18)26-20(27)14-5-7-15(24)8-6-14/h5-12H,4H2,1-3H3,(H,25,28)(H,26,27)

InChI Key

SHDPTGCYLQYWHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01151697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.827

Distribution Coefficient, logD

-0.514

Water Solubility, LogSw

-5.14

Polar Surface Area

74.513

Acid Dissociation Constant (pKa)

2.06

Base Dissociation Constant (pKb)

1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

2732-4426 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 2732-4426 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2732-4426?
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What is the minimum amount of 2732-4426 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2732-4426
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2732-4426
  • 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 2732-4426 available by request