C200-6220 Screening compound: methyl 4-chloro-3-{2-[3-(trifluoromethyl)benzenesulfonyl]acetamido}-1-benzothiophene-2-carboxylate

C200-6220 Screening compound: methyl 4-chloro-3-{2-[3-(trifluoromethyl)benzenesulfonyl]acetamido}-1-benzothiophene-2-carboxylate
C200-6220 Screening compound: methyl 4-chloro-3-{2-[3-(trifluoromethyl)benzenesulfonyl]acetamido}-1-benzothiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-6220
methyl 4-chloro-3-{2-[3-(trifluoromethyl)benzenesulfonyl]acetamido}-1-benzothiophene-2-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

C200-6220

Molecular Formula

C19H13ClF3NO5S2 (C19 H13 ClF3 NO5 S2)

Compound Name

methyl 4-chloro-3-{2-[3-(trifluoromethyl)benzenesulfonyl]acetamido}-1-benzothiophene-2-carboxylate

IUPAC name

methyl 4-chloro-3-{2-[3-(trifluoromethyl)benzenesulfonyl]acetamido}-1-benzothiophene-2-carboxylate

SMILES

COC(c(sc1cccc(Cl)c11)c1NC(CS(c1cc(C(F)(F)F)ccc1)(=O)=O)=O)=O

InChI

InChI=1S/C19H13ClF3NO5S2/c1-29-18(26)17-16(15-12(20)6-3-7-13(15)30-17)24-14(25)9-31(27,28)11-5-2-4-10(8-11)19(21,22)23/h2-8H,9H2,1H3,(H,24,25)

InChI Key

AISHJSMXVWGKKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14728090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.9

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.090

Distribution Coefficient, logD

3.733

Water Solubility, LogSw

-4.37

Polar Surface Area

72.678

Acid Dissociation Constant (pKa)

7.30

Base Dissociation Constant (pKb)

-4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

C200-6220 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C200-6220 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-6220?
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What is the minimum amount of C200-6220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-6220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-6220
  • 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 C200-6220 available by request