4802-0283 Screening compound: 1-(1,3-benzothiazol-2-yl)-5-(4-methylphenyl)-1H-1,2,4-triazole-3-thiol

4802-0283 Screening compound: 1-(1,3-benzothiazol-2-yl)-5-(4-methylphenyl)-1H-1,2,4-triazole-3-thiol
4802-0283 Screening compound: 1-(1,3-benzothiazol-2-yl)-5-(4-methylphenyl)-1H-1,2,4-triazole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4802-0283
1-(1,3-benzothiazol-2-yl)-5-(4-methylphenyl)-1H-1,2,4-triazole-3-thiol

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

4802-0283

Molecular Formula

C16H12N4S2 (C16 H12 N4 S2)

Compound Name

1-(1,3-benzothiazol-2-yl)-5-(4-methylphenyl)-1H-1,2,4-triazole-3-thiol

IUPAC name

1-(13-benzothiazol-2-yl)-5-(4-methylphenyl)-1H-124-triazole-3-thiol

SMILES

Cc(cc1)ccc1-c1nc(S)nn1-c1nc(cccc2)c2s1

InChI

InChI=1S/C16H12N4S2/c1-10-6-8-11(9-7-10)14-18-15(21)19-20(14)16-17-12-4-2-3-5-13(12)22-16/h2-9H,1H3,(H,19,21)

InChI Key

OQDCPGWDAITEMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03146115

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.061

Distribution Coefficient, logD

4.256

Water Solubility, LogSw

-4.78

Polar Surface Area

31.023

Acid Dissociation Constant (pKa)

6.67

Base Dissociation Constant (pKb)

2.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

4802-0283 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4802-0283 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4802-0283?
Check Price and Availability of 4802-0283, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4802-0283 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4802-0283
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4802-0283
  • 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 4802-0283 available by request