D048-0062 Screening compound: 2-{[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)methyl]sulfanyl}-1H-1,3-benzodiazole

D048-0062 Screening compound: 2-{[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)methyl]sulfanyl}-1H-1,3-benzodiazole
D048-0062 Screening compound: 2-{[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)methyl]sulfanyl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D048-0062
2-{[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)methyl]sulfanyl}-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

D048-0062

Molecular Formula

C15H12N6S (C15 H12 N6 S)

Compound Name

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

IUPAC name

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

SMILES

C(c1nnnn1-c1ccccc1)Sc1nc(cccc2)c2[nH]1

InChI

InChI=1S/C15H12N6S/c1-2-6-11(7-3-1)21-14(18-19-20-21)10-22-15-16-12-8-4-5-9-13(12)17-15/h1-9H,10H2,(H,16,17)

InChI Key

FANBQAZOACTUFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05239587

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.477

Distribution Coefficient, logD

2.404

Water Solubility, LogSw

-2.54

Polar Surface Area

58.296

Acid Dissociation Constant (pKa)

13.82

Base Dissociation Constant (pKb)

6.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

D048-0062 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D048-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D048-0062?
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What is the minimum amount of D048-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D048-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D048-0062
  • 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 D048-0062 available by request