8013-1199 Screening compound: 2,1,3-benzoxadiazol-5-ylmethyl (1-phenyl-1H-1,2,3,4-tetraazol-5-yl) sulfide

8013-1199 Screening compound: 2,1,3-benzoxadiazol-5-ylmethyl (1-phenyl-1H-1,2,3,4-tetraazol-5-yl) sulfide
8013-1199 Screening compound: 2,1,3-benzoxadiazol-5-ylmethyl (1-phenyl-1H-1,2,3,4-tetraazol-5-yl) sulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1199
2,1,3-benzoxadiazol-5-ylmethyl (1-phenyl-1H-1,2,3,4-tetraazol-5-yl) sulfide

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

8013-1199

Molecular Formula

C14H10N6OS (C14 H10 N6 OS)

Compound Name

2,1,3-benzoxadiazol-5-ylmethyl (1-phenyl-1H-1,2,3,4-tetraazol-5-yl) sulfide

IUPAC name

5-{[(1-phenyl-1H-1234-tetrazol-5-yl)sulfanyl]methyl}-213-benzoxadiazole

SMILES

C(c1cc2nonc2cc1)Sc1nnnn1-c1ccccc1

InChI

InChI=1S/C14H10N6OS/c1-2-4-11(5-3-1)20-14(15-18-19-20)22-9-10-6-7-12-13(8-10)17-21-16-12/h1-8H,9H2

InChI Key

CRFJFDFWRGGQPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03409107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.296

Distribution Coefficient, logD

3.296

Water Solubility, LogSw

-3.43

Polar Surface Area

75.208

Acid Dissociation Constant (pKa)

21.81

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.14

8013-1199 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8013-1199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1199?
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What is the minimum amount of 8013-1199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1199
  • 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 8013-1199 available by request