8008-1316 Screening compound: 5-(biphenyl-2-ylcarbonyl)-4,4-dimethyl-4,5-dihydro-1{H}-[1,2]dithiolo[3,4-{c}]quinoline-1-thione

8008-1316 Screening compound: 5-(biphenyl-2-ylcarbonyl)-4,4-dimethyl-4,5-dihydro-1{H}-[1,2]dithiolo[3,4-{c}]quinoline-1-thione
8008-1316 Screening compound: 5-(biphenyl-2-ylcarbonyl)-4,4-dimethyl-4,5-dihydro-1{H}-[1,2]dithiolo[3,4-{c}]quinoline-1-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-1316
5-(biphenyl-2-ylcarbonyl)-4,4-dimethyl-4,5-dihydro-1{H}-[1,2]dithiolo[3,4-{c}]quinoline-1-thione

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

8008-1316

Molecular Formula

C25H19NOS3 (C25 H19 NOS3)

Compound Name

5-(biphenyl-2-ylcarbonyl)-4,4-dimethyl-4,5-dihydro-1{H}-[1,2]dithiolo[3,4-{c}]quinoline-1-thione

IUPAC name

5-{[11'-biphenyl]-2-carbonyl}-44-dimethyl-1H4H5H-[12]dithiolo[34-c]quinoline-1-thione

SMILES

CC1(C)N(C(c(cccc2)c2-c2ccccc2)=O)c(cccc2)c2C2=C1SSC2=S

InChI

InChI=1S/C25H19NOS3/c1-25(2)22-21(24(28)30-29-22)19-14-8-9-15-20(19)26(25)23(27)18-13-7-6-12-17(18)16-10-4-3-5-11-16/h3-15H,1-2H3

InChI Key

DEEJELCMWFYPBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00621914

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.961

Distribution Coefficient, logD

5.961

Water Solubility, LogSw

-5.68

Polar Surface Area

14.163

Acid Dissociation Constant (pKa)

29.90

Base Dissociation Constant (pKb)

-5.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

8008-1316 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8008-1316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-1316?
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What is the minimum amount of 8008-1316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-1316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-1316
  • 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 8008-1316 available by request