C593-0191 Screening compound: ethyl 3-{4-chlorothieno[3,2-c]quinoline-2-amido}benzoate

C593-0191 Screening compound: ethyl 3-{4-chlorothieno[3,2-c]quinoline-2-amido}benzoate
C593-0191 Screening compound: ethyl 3-{4-chlorothieno[3,2-c]quinoline-2-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C593-0191
ethyl 3-{4-chlorothieno[3,2-c]quinoline-2-amido}benzoate

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

C593-0191

Molecular Formula

C21H15ClN2O3S (C21 H15 ClN2 O3 S)

Compound Name

ethyl 3-{4-chlorothieno[3,2-c]quinoline-2-amido}benzoate

IUPAC name

ethyl 3-{4-chlorothieno[32-c]quinoline-2-amido}benzoate

SMILES

CCOC(c1cccc(NC(c2cc(c(Cl)nc3ccccc33)c3s2)=O)c1)=O

InChI

InChI=1S/C21H15ClN2O3S/c1-2-27-21(26)12-6-5-7-13(10-12)23-20(25)17-11-15-18(28-17)14-8-3-4-9-16(14)24-19(15)22/h3-11H,2H2,1H3,(H,23,25)

InChI Key

DZPPAQODIJDZBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14773452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.103

Distribution Coefficient, logD

6.103

Water Solubility, LogSw

-6.16

Polar Surface Area

53.798

Acid Dissociation Constant (pKa)

10.34

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

C593-0191 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C593-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C593-0191?
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What is the minimum amount of C593-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C593-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C593-0191
  • 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 C593-0191 available by request