8010-1862 Screening compound: 3-(3,4-dimethylphenyl)-5-(1-methyl-2-oxo-1,2-dihydro-3H-indol-3-yliden)-2-thioxo-1,3-thiazolan-4-one

8010-1862 Screening compound: 3-(3,4-dimethylphenyl)-5-(1-methyl-2-oxo-1,2-dihydro-3H-indol-3-yliden)-2-thioxo-1,3-thiazolan-4-one
8010-1862 Screening compound: 3-(3,4-dimethylphenyl)-5-(1-methyl-2-oxo-1,2-dihydro-3H-indol-3-yliden)-2-thioxo-1,3-thiazolan-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-1862
3-(3,4-dimethylphenyl)-5-(1-methyl-2-oxo-1,2-dihydro-3H-indol-3-yliden)-2-thioxo-1,3-thiazolan-4-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

8010-1862

Molecular Formula

C20H16N2O2S2 (C20 H16 N2 O2 S2)

Compound Name

3-(3,4-dimethylphenyl)-5-(1-methyl-2-oxo-1,2-dihydro-3H-indol-3-yliden)-2-thioxo-1,3-thiazolan-4-one

IUPAC name

3-[(5Z)-3-(34-dimethylphenyl)-4-oxo-2-sulfanylidene-13-thiazolidin-5-ylidene]-1-methyl-23-dihydro-1H-indol-2-one

SMILES

Cc(cc1)c(C)cc1N(C(/C(/S1)=C(\c(cccc2)c2N2C)/C2=O)=O)C1=S

InChI

InChI=1S/C20H16N2O2S2/c1-11-8-9-13(10-12(11)2)22-19(24)17(26-20(22)25)16-14-6-4-5-7-15(14)21(3)18(16)23/h4-10H,1-3H3

InChI Key

PFQQHJHOUPUYIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01831132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.060

Distribution Coefficient, logD

4.060

Water Solubility, LogSw

-4.23

Polar Surface Area

31.337

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with 8010-1862 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-1862?
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What is the minimum amount of 8010-1862 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-1862
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-1862
  • 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 8010-1862 available by request