8013-0524 Screening compound: 2-({[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}methyl)-1H-1,3-benzodiazole

8013-0524 Screening compound: 2-({[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}methyl)-1H-1,3-benzodiazole
8013-0524 Screening compound: 2-({[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}methyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0524
2-({[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}methyl)-1H-1,3-benzodiazole

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

8013-0524

Molecular Formula

C16H14N6OS (C16 H14 N6 OS)

Compound Name

2-({[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}methyl)-1H-1,3-benzodiazole

IUPAC name

2-({[1-(4-methoxyphenyl)-1H-1234-tetrazol-5-yl]sulfanyl}methyl)-1H-13-benzodiazole

SMILES

COc(cc1)ccc1-n1nnnc1SCc1nc(cccc2)c2[nH]1

InChI

InChI=1S/C16H14N6OS/c1-23-12-8-6-11(7-9-12)22-16(19-20-21-22)24-10-15-17-13-4-2-3-5-14(13)18-15/h2-9H,10H2,1H3,(H,17,18)

InChI Key

CBRMLCPNCZFVIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03408578

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.307

Distribution Coefficient, logD

3.283

Water Solubility, LogSw

-3.62

Polar Surface Area

67.714

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8013-0524 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antifungal Library (16415 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8013-0524 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0524?
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What is the minimum amount of 8013-0524 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0524
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0524
  • 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 8013-0524 available by request