D360-7061 Screening compound: 2-{[(4-chlorophenyl)methyl]sulfanyl}-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile

D360-7061 Screening compound: 2-{[(4-chlorophenyl)methyl]sulfanyl}-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
D360-7061 Screening compound: 2-{[(4-chlorophenyl)methyl]sulfanyl}-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D360-7061
2-{[(4-chlorophenyl)methyl]sulfanyl}-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile

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

D360-7061

Molecular Formula

C17H13ClN2OS (C17 H13 ClN2 OS)

Compound Name

2-{[(4-chlorophenyl)methyl]sulfanyl}-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile

IUPAC name

2-{[(4-chlorophenyl)methyl]sulfanyl}-5-oxo-5678-tetrahydroquinoline-3-carbonitrile

SMILES

N#Cc1cc(C(CCC2)=O)c2nc1SCc(cc1)ccc1Cl

InChI

InChI=1S/C17H13ClN2OS/c18-13-6-4-11(5-7-13)10-22-17-12(9-19)8-14-15(20-17)2-1-3-16(14)21/h4-8H,1-3,10H2

InChI Key

HNWJWLXNHDPOPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03723833

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.82

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.181

Distribution Coefficient, logD

4.181

Water Solubility, LogSw

-4.68

Polar Surface Area

40.440

Acid Dissociation Constant (pKa)

18.72

Base Dissociation Constant (pKb)

-2.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

D360-7061 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Eye
Agro:
  • Agro
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D360-7061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D360-7061?
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What is the minimum amount of D360-7061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D360-7061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D360-7061
  • 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 D360-7061 available by request