8009-2678 Screening compound: 3-{2-[(5Z)-3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2,3-dihydro-1,3-benzothiazol-3-yl}propane-1-sulfonic acid

8009-2678 Screening compound: 3-{2-[(5Z)-3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2,3-dihydro-1,3-benzothiazol-3-yl}propane-1-sulfonic acid
8009-2678 Screening compound: 3-{2-[(5Z)-3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2,3-dihydro-1,3-benzothiazol-3-yl}propane-1-sulfonic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-2678
3-{2-[(5Z)-3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2,3-dihydro-1,3-benzothiazol-3-yl}propane-1-sulfonic acid

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

8009-2678

Molecular Formula

C14H14N2O4S4 (C14 H14 N2 O4 S4)

Compound Name

3-{2-[(5Z)-3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2,3-dihydro-1,3-benzothiazol-3-yl}propane-1-sulfonic acid

IUPAC name

3-{2-[(5Z)-3-methyl-4-oxo-2-sulfanylidene-13-thiazolidin-5-ylidene]-23-dihydro-13-benzothiazol-3-yl}propane-1-sulfonic acid

SMILES

CN(C(/C(/S1)=C2/Sc(cccc3)c3N2CCCS(O)(=O)=O)=O)C1=S

InChI

InChI=1S/C14H14N2O4S4/c1-15-12(17)11(23-14(15)21)13-16(7-4-8-24(18,19)20)9-5-2-3-6-10(9)22-13/h2-3,5-6H,4,7-8H2,1H3,(H,18,19,20)

InChI Key

WFDCJWFAOPTBSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01572711

Chemical and Physical Properties

Saltdata

(C2H5)3N

Molecular Weight

402.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.754

Distribution Coefficient, logD

-8.672

Water Solubility, LogSw

-1.95

Polar Surface Area

63.926

Acid Dissociation Constant (pKa)

-2.03

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

8009-2678 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8009-2678 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-2678?
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What is the minimum amount of 8009-2678 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-2678
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-2678
  • 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 8009-2678 available by request