6937-0096 Screening compound: 2-(2-methoxyphenyl)-5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1,3,4-oxadiazole

6937-0096 Screening compound: 2-(2-methoxyphenyl)-5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1,3,4-oxadiazole
6937-0096 Screening compound: 2-(2-methoxyphenyl)-5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 6937-0096
2-(2-methoxyphenyl)-5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1,3,4-oxadiazole

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

6937-0096

Molecular Formula

C12H10N6O4S (C12 H10 N6 O4 S)

Compound Name

2-(2-methoxyphenyl)-5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1,3,4-oxadiazole

IUPAC name

2-(2-methoxyphenyl)-5-[(1-methyl-3-nitro-1H-124-triazol-5-yl)sulfanyl]-134-oxadiazole

SMILES

Cn(c(Sc1nnc(-c(cccc2)c2OC)o1)n1)nc1[N+]([O-])=O

InChI

InChI=1S/C12H10N6O4S/c1-17-11(13-10(16-17)18(19)20)23-12-15-14-9(22-12)7-5-3-4-6-8(7)21-2/h3-6H,1-2H3

InChI Key

KIXAQAHEYFGFQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04388346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.32

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.486

Distribution Coefficient, logD

1.486

Water Solubility, LogSw

-2.24

Polar Surface Area

94.929

Acid Dissociation Constant (pKa)

28.46

Base Dissociation Constant (pKb)

-2.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

6937-0096 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6937-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6937-0096?
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What is the minimum amount of 6937-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6937-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6937-0096
  • 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 6937-0096 available by request