8017-5181 Screening compound: 1-(3-methylphenyl)-5-(methylsulfonyl)-1H-1,2,3,4-tetraazole

8017-5181 Screening compound: 1-(3-methylphenyl)-5-(methylsulfonyl)-1H-1,2,3,4-tetraazole
8017-5181 Screening compound: 1-(3-methylphenyl)-5-(methylsulfonyl)-1H-1,2,3,4-tetraazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-5181
1-(3-methylphenyl)-5-(methylsulfonyl)-1H-1,2,3,4-tetraazole

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

8017-5181

Molecular Formula

C9H10N4O2S (C9 H10 N4 O2 S)

Compound Name

1-(3-methylphenyl)-5-(methylsulfonyl)-1H-1,2,3,4-tetraazole

IUPAC name

5-methanesulfonyl-1-(3-methylphenyl)-1H-1234-tetrazole

SMILES

Cc1cccc(-n2nnnc2S(C)(=O)=O)c1

InChI

InChI=1S/C9H10N4O2S/c1-7-4-3-5-8(6-7)13-9(10-11-12-13)16(2,14)15/h3-6H,1-2H3

InChI Key

ZJWBUCWHESKUAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06017540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

238.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.839

Distribution Coefficient, logD

0.839

Water Solubility, LogSw

-1.93

Polar Surface Area

70.281

Acid Dissociation Constant (pKa)

24.22

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

8017-5181 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8017-5181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-5181?
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What is the minimum amount of 8017-5181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-5181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-5181
  • 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 8017-5181 available by request