4223-7081 Screening compound: ethyl 2-benzamido-5-[(3-chloro-2-methylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate

4223-7081 Screening compound: ethyl 2-benzamido-5-[(3-chloro-2-methylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
4223-7081 Screening compound: ethyl 2-benzamido-5-[(3-chloro-2-methylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4223-7081
ethyl 2-benzamido-5-[(3-chloro-2-methylphenyl)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

4223-7081

Molecular Formula

C23H21ClN2O4S (C23 H21 ClN2 O4 S)

Compound Name

ethyl 2-benzamido-5-[(3-chloro-2-methylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate

IUPAC name

ethyl 2-benzamido-5-[(3-chloro-2-methylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c2ccccc2)=O)sc(C(Nc2cccc(Cl)c2C)=O)c1C)=O

InChI

InChI=1S/C23H21ClN2O4S/c1-4-30-23(29)18-14(3)19(21(28)25-17-12-8-11-16(24)13(17)2)31-22(18)26-20(27)15-9-6-5-7-10-15/h5-12H,4H2,1-3H3,(H,25,28)(H,26,27)

InChI Key

WXYRZYOTKZMUQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02627464

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.95

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.150

Distribution Coefficient, logD

0.749

Water Solubility, LogSw

-5.69

Polar Surface Area

66.271

Acid Dissociation Constant (pKa)

3.00

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with 4223-7081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4223-7081?
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What is the minimum amount of 4223-7081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4223-7081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4223-7081
  • 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 4223-7081 available by request