6646-0149 Screening compound: 1-(3,4-dimethylphenyl)-5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1H-1,2,3,4-tetrazole

6646-0149 Screening compound: 1-(3,4-dimethylphenyl)-5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1H-1,2,3,4-tetrazole
6646-0149 Screening compound: 1-(3,4-dimethylphenyl)-5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1H-1,2,3,4-tetrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 6646-0149
1-(3,4-dimethylphenyl)-5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1H-1,2,3,4-tetrazole

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

6646-0149

Molecular Formula

C12H12N8O2S (C12 H12 N8 O2 S)

Compound Name

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

IUPAC name

1-(34-dimethylphenyl)-5-[(1-methyl-3-nitro-1H-124-triazol-5-yl)sulfanyl]-1H-1234-tetrazole

SMILES

Cc(cc1)c(C)cc1-n1nnnc1Sc1nc([N+]([O-])=O)nn1C

InChI

InChI=1S/C12H12N8O2S/c1-7-4-5-9(6-8(7)2)19-12(14-16-17-19)23-11-13-10(20(21)22)15-18(11)3/h4-6H,1-3H3

InChI Key

JIOIWTLYQWYRTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03820328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.35

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.707

Distribution Coefficient, logD

2.707

Water Solubility, LogSw

-2.94

Polar Surface Area

97.123

Acid Dissociation Constant (pKa)

27.19

Base Dissociation Constant (pKb)

-2.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

6646-0149 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6646-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6646-0149?
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What is the minimum amount of 6646-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6646-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6646-0149
  • 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 6646-0149 available by request