8279-0001 Screening compound: 3-(1,3-benzothiazol-2-ylsulfanyl)-7-chloro-4-phenyl-1,2-dihydroquinolin-2-one

8279-0001 Screening compound: 3-(1,3-benzothiazol-2-ylsulfanyl)-7-chloro-4-phenyl-1,2-dihydroquinolin-2-one
8279-0001 Screening compound: 3-(1,3-benzothiazol-2-ylsulfanyl)-7-chloro-4-phenyl-1,2-dihydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8279-0001
3-(1,3-benzothiazol-2-ylsulfanyl)-7-chloro-4-phenyl-1,2-dihydroquinolin-2-one

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

8279-0001

Molecular Formula

C22H13ClN2OS2 (C22 H13 ClN2 OS2)

Compound Name

3-(1,3-benzothiazol-2-ylsulfanyl)-7-chloro-4-phenyl-1,2-dihydroquinolin-2-one

IUPAC name

3-(13-benzothiazol-2-ylsulfanyl)-7-chloro-4-phenyl-12-dihydroquinolin-2-one

SMILES

O=C1Nc(cc(cc2)Cl)c2C(c2ccccc2)=C1Sc1nc(cccc2)c2s1

InChI

InChI=1S/C22H13ClN2OS2/c23-14-10-11-15-17(12-14)24-21(26)20(19(15)13-6-2-1-3-7-13)28-22-25-16-8-4-5-9-18(16)27-22/h1-12H,(H,24,26)

InChI Key

MJDAYFMZOCFVMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08554058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.94

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.364

Distribution Coefficient, logD

6.364

Water Solubility, LogSw

-6.31

Polar Surface Area

33.654

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

-4.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8279-0001 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8279-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8279-0001?
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What is the minimum amount of 8279-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8279-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8279-0001
  • 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 8279-0001 available by request