2932-0960 Screening compound: 4,5-dimethyl 2-{1-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-2,2,6,8-tetramethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate

2932-0960 Screening compound: 4,5-dimethyl 2-{1-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-2,2,6,8-tetramethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate
2932-0960 Screening compound: 4,5-dimethyl 2-{1-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-2,2,6,8-tetramethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2932-0960
4,5-dimethyl 2-{1-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-2,2,6,8-tetramethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate

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

2932-0960

Molecular Formula

C29H26N2O5S5 (C29 H26 N2 O5 S5)

Compound Name

4,5-dimethyl 2-{1-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-2,2,6,8-tetramethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate

IUPAC name

45-dimethyl 2-{1-[2-(13-benzothiazol-2-ylsulfanyl)acetyl]-2268-tetramethyl-3-sulfanylidene-1234-tetrahydroquinolin-4-ylidene}-2H-13-dithiole-45-dicarboxylate

SMILES

CC(C)(C1=S)N(C(CSc2nc(cccc3)c3s2)=O)c(c(C)cc(C)c2)c2C1=C1SC(C(OC)=O)=C(C(OC)=O)S1

InChI

InChI=1S/C29H26N2O5S5/c1-14-11-15(2)21-16(12-14)20(27-40-22(25(33)35-5)23(41-27)26(34)36-6)24(37)29(3,4)31(21)19(32)13-38-28-30-17-9-7-8-10-18(17)39-28/h7-12H,13H2,1-6H3

InChI Key

NFEVCDOWWLKRBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01796148

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

642.87

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.496

Distribution Coefficient, logD

7.496

Water Solubility, LogSw

-5.69

Polar Surface Area

66.493

Acid Dissociation Constant (pKa)

19.46

Base Dissociation Constant (pKb)

0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

2932-0960 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 2932-0960 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 2932-0960 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2932-0960
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2932-0960
  • 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 2932-0960 available by request