8013-4857 Screening compound: 2-[(4-chlorophenyl)sulfanyl]-7-methyl-3-quinolinecarbaldehyde

8013-4857 Screening compound: 2-[(4-chlorophenyl)sulfanyl]-7-methyl-3-quinolinecarbaldehyde
8013-4857 Screening compound: 2-[(4-chlorophenyl)sulfanyl]-7-methyl-3-quinolinecarbaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-4857
2-[(4-chlorophenyl)sulfanyl]-7-methyl-3-quinolinecarbaldehyde

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

8013-4857

Molecular Formula

C17H12ClNOS (C17 H12 ClNOS)

Compound Name

2-[(4-chlorophenyl)sulfanyl]-7-methyl-3-quinolinecarbaldehyde

IUPAC name

2-[(4-chlorophenyl)sulfanyl]-7-methylquinoline-3-carbaldehyde

SMILES

Cc1ccc(cc(C=O)c(Sc(cc2)ccc2Cl)n2)c2c1

InChI

InChI=1S/C17H12ClNOS/c1-11-2-3-12-9-13(10-20)17(19-16(12)8-11)21-15-6-4-14(18)5-7-15/h2-10H,1H3

InChI Key

TTWUDOVNLLHHOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03079703

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.81

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.640

Distribution Coefficient, logD

5.640

Water Solubility, LogSw

-6.11

Polar Surface Area

22.588

Acid Dissociation Constant (pKa)

27.72

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.88

8013-4857 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8013-4857 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-4857?
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What is the minimum amount of 8013-4857 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-4857
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-4857
  • 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 8013-4857 available by request