4223-7044 Screening compound: ethyl 5-[(3-chloro-2-methylphenyl)carbamoyl]-4-methyl-2-[2-(thiophen-2-yl)acetamido]thiophene-3-carboxylate

4223-7044 Screening compound: ethyl 5-[(3-chloro-2-methylphenyl)carbamoyl]-4-methyl-2-[2-(thiophen-2-yl)acetamido]thiophene-3-carboxylate
4223-7044 Screening compound: ethyl 5-[(3-chloro-2-methylphenyl)carbamoyl]-4-methyl-2-[2-(thiophen-2-yl)acetamido]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4223-7044
ethyl 5-[(3-chloro-2-methylphenyl)carbamoyl]-4-methyl-2-[2-(thiophen-2-yl)acetamido]thiophene-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

4223-7044

Molecular Formula

C22H21ClN2O4S2 (C22 H21 ClN2 O4 S2)

Compound Name

ethyl 5-[(3-chloro-2-methylphenyl)carbamoyl]-4-methyl-2-[2-(thiophen-2-yl)acetamido]thiophene-3-carboxylate

IUPAC name

ethyl 5-[(3-chloro-2-methylphenyl)carbamoyl]-4-methyl-2-[2-(thiophen-2-yl)acetamido]thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(Cc2cccs2)=O)sc(C(Nc2cccc(Cl)c2C)=O)c1C)=O

InChI

InChI=1S/C22H21ClN2O4S2/c1-4-29-22(28)18-13(3)19(20(27)24-16-9-5-8-15(23)12(16)2)31-21(18)25-17(26)11-14-7-6-10-30-14/h5-10H,4,11H2,1-3H3,(H,24,27)(H,25,26)

InChI Key

CNMQWADRYOUEMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02627448

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.641

Distribution Coefficient, logD

1.513

Water Solubility, LogSw

-4.86

Polar Surface Area

67.076

Acid Dissociation Constant (pKa)

4.27

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

4223-7044 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 4223-7044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4223-7044?
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What is the minimum amount of 4223-7044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4223-7044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4223-7044
  • 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 4223-7044 available by request