C593-0199 Screening compound: 4-chloro-N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}thieno[3,2-c]quinoline-2-carboxamide

C593-0199 Screening compound: 4-chloro-N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}thieno[3,2-c]quinoline-2-carboxamide
C593-0199 Screening compound: 4-chloro-N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}thieno[3,2-c]quinoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C593-0199
4-chloro-N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}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

C593-0199

Molecular Formula

C25H24ClFN4OS (C25 H24 ClFN4 OS)

Compound Name

4-chloro-N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}thieno[3,2-c]quinoline-2-carboxamide

IUPAC name

4-chloro-N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}thieno[32-c]quinoline-2-carboxamide

SMILES

O=C(c1cc(c(Cl)nc2ccccc22)c2s1)NCCCN(CC1)CCN1c(cc1)ccc1F

InChI

InChI=1S/C25H24ClFN4OS/c26-24-20-16-22(33-23(20)19-4-1-2-5-21(19)29-24)25(32)28-10-3-11-30-12-14-31(15-13-30)18-8-6-17(27)7-9-18/h1-2,4-9,16H,3,10-15H2,(H,28,32)

InChI Key

GFRYBSPKSXEONC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14773459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.01

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.986

Distribution Coefficient, logD

4.442

Water Solubility, LogSw

-5.11

Polar Surface Area

41.451

Acid Dissociation Constant (pKa)

13.91

Base Dissociation Constant (pKb)

7.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

C593-0199 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 C593-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C593-0199?
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What is the minimum amount of C593-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C593-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C593-0199
  • 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 C593-0199 available by request