D360-5860 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile

D360-5860 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
D360-5860 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D360-5860
2-{[(2-chlorophenyl)methyl]sulfanyl}-7,7-dimethyl-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

D360-5860

Molecular Formula

C19H17ClN2OS (C19 H17 ClN2 OS)

Compound Name

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

IUPAC name

2-{[(2-chlorophenyl)methyl]sulfanyl}-77-dimethyl-5-oxo-5678-tetrahydroquinoline-3-carbonitrile

SMILES

CC(C)(Cc(nc1SCc(cccc2)c2Cl)c2cc1C#N)CC2=O

InChI

InChI=1S/C19H17ClN2OS/c1-19(2)8-16-14(17(23)9-19)7-13(10-21)18(22-16)24-11-12-5-3-4-6-15(12)20/h3-7H,8-9,11H2,1-2H3

InChI Key

YZLSAXGZYDUFCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03009741

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.88

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

4.834

Distribution Coefficient, logD

4.834

Water Solubility, LogSw

-4.87

Polar Surface Area

40.440

Acid Dissociation Constant (pKa)

21.76

Base Dissociation Constant (pKb)

-2.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

D360-5860 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 D360-5860 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D360-5860?
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What is the minimum amount of D360-5860 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D360-5860
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D360-5860
  • 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 D360-5860 available by request