C593-0135 Screening compound: 4-chloro-N-methyl-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]quinoline-2-carboxamide

C593-0135 Screening compound: 4-chloro-N-methyl-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]quinoline-2-carboxamide
C593-0135 Screening compound: 4-chloro-N-methyl-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]quinoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C593-0135
4-chloro-N-methyl-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]quinoline-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

C593-0135

Molecular Formula

C20H12ClF3N2OS (C20 H12 ClF3 N2 OS)

Compound Name

4-chloro-N-methyl-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]quinoline-2-carboxamide

IUPAC name

4-chloro-N-methyl-N-[3-(trifluoromethyl)phenyl]thieno[32-c]quinoline-2-carboxamide

SMILES

CN(C(c1cc(c(Cl)nc2ccccc22)c2s1)=O)c1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C20H12ClF3N2OS/c1-26(12-6-4-5-11(9-12)20(22,23)24)19(27)16-10-14-17(28-16)13-7-2-3-8-15(13)25-18(14)21/h2-10H,1H3

InChI Key

QEGSYBXUZRPVAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14773406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.84

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.026

Distribution Coefficient, logD

6.026

Water Solubility, LogSw

-6.32

Polar Surface Area

25.322

Acid Dissociation Constant (pKa)

31.47

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

C593-0135 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C593-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C593-0135?
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What is the minimum amount of C593-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C593-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C593-0135
  • 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 C593-0135 available by request