6633-0034 Screening compound: 4-{[(4-chlorophenyl)carbamoyl]methyl}-N-(4-ethoxyphenyl)-3-hydroxy-5-methylthiophene-2-carboxamide

6633-0034 Screening compound: 4-{[(4-chlorophenyl)carbamoyl]methyl}-N-(4-ethoxyphenyl)-3-hydroxy-5-methylthiophene-2-carboxamide
6633-0034 Screening compound: 4-{[(4-chlorophenyl)carbamoyl]methyl}-N-(4-ethoxyphenyl)-3-hydroxy-5-methylthiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6633-0034
4-{[(4-chlorophenyl)carbamoyl]methyl}-N-(4-ethoxyphenyl)-3-hydroxy-5-methylthiophene-2-carboxamide

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

6633-0034

Molecular Formula

C22H21ClN2O4S (C22 H21 ClN2 O4 S)

Compound Name

4-{[(4-chlorophenyl)carbamoyl]methyl}-N-(4-ethoxyphenyl)-3-hydroxy-5-methylthiophene-2-carboxamide

IUPAC name

4-{[(4-chlorophenyl)carbamoyl]methyl}-N-(4-ethoxyphenyl)-3-hydroxy-5-methylthiophene-2-carboxamide

SMILES

CCOc(cc1)ccc1NC(c(sc(C)c1CC(Nc(cc2)ccc2Cl)=O)c1O)=O

InChI

InChI=1S/C22H21ClN2O4S/c1-3-29-17-10-8-16(9-11-17)25-22(28)21-20(27)18(13(2)30-21)12-19(26)24-15-6-4-14(23)5-7-15/h4-11,27H,3,12H2,1-2H3,(H,24,26)(H,25,28)

InChI Key

LWCHBSLIOVMJKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14711795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.142

Distribution Coefficient, logD

5.123

Water Solubility, LogSw

-5.16

Polar Surface Area

69.829

Acid Dissociation Constant (pKa)

8.75

Base Dissociation Constant (pKb)

0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

6633-0034 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6633-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6633-0034?
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What is the minimum amount of 6633-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6633-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6633-0034
  • 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 6633-0034 available by request