8013-3221 Screening compound: 3-[(3-chlorobenzyl)sulfanyl][1,2,4]triazolo[3,4-b][1,3]benzothiazole

8013-3221 Screening compound: 3-[(3-chlorobenzyl)sulfanyl][1,2,4]triazolo[3,4-b][1,3]benzothiazole
8013-3221 Screening compound: 3-[(3-chlorobenzyl)sulfanyl][1,2,4]triazolo[3,4-b][1,3]benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3221
3-[(3-chlorobenzyl)sulfanyl][1,2,4]triazolo[3,4-b][1,3]benzothiazole

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

8013-3221

Molecular Formula

C15H10ClN3S2 (C15 H10 ClN3 S2)

Compound Name

3-[(3-chlorobenzyl)sulfanyl][1,2,4]triazolo[3,4-b][1,3]benzothiazole

IUPAC name

3-{[(3-chlorophenyl)methyl]sulfanyl}-7-thia-245-triazatricyclo[6.4.0.0^{26}]dodeca-1(8)35911-pentaene

SMILES

Clc1cc(CSc2nnc3sc(cccc4)c4n23)ccc1

InChI

InChI=1S/C15H10ClN3S2/c16-11-5-3-4-10(8-11)9-20-14-17-18-15-19(14)12-6-1-2-7-13(12)21-15/h1-8H,9H2

InChI Key

SDDUHCYWAFDZNV-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.85

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.689

Distribution Coefficient, logD

4.689

Water Solubility, LogSw

-4.91

Polar Surface Area

22.307

Acid Dissociation Constant (pKa)

23.30

Base Dissociation Constant (pKb)

2.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

References: we are preparing a list of scientific research reports with 8013-3221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3221?
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What is the minimum amount of 8013-3221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3221
  • 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 8013-3221 available by request