8017-4443 Screening compound: 1-(3-methoxyphenyl)-1H-1,2,3,4-tetraazol-5-yl methyl sulfone

8017-4443 Screening compound: 1-(3-methoxyphenyl)-1H-1,2,3,4-tetraazol-5-yl methyl sulfone
8017-4443 Screening compound: 1-(3-methoxyphenyl)-1H-1,2,3,4-tetraazol-5-yl methyl sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-4443
1-(3-methoxyphenyl)-1H-1,2,3,4-tetraazol-5-yl methyl sulfone

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

8017-4443

Molecular Formula

C9H10N4O3S (C9 H10 N4 O3 S)

Compound Name

1-(3-methoxyphenyl)-1H-1,2,3,4-tetraazol-5-yl methyl sulfone

IUPAC name

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

SMILES

COc1cccc(-n2nnnc2S(C)(=O)=O)c1

InChI

InChI=1S/C9H10N4O3S/c1-16-8-5-3-4-7(6-8)13-9(10-11-12-13)17(2,14)15/h3-6H,1-2H3

InChI Key

XIPRBTBTNIAVMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06000722

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

254.27

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.504

Distribution Coefficient, logD

0.504

Water Solubility, LogSw

-2.00

Polar Surface Area

77.824

Acid Dissociation Constant (pKa)

24.22

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

8017-4443 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human GPCR Annotated Library (5539 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 8017-4443 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-4443?
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What is the minimum amount of 8017-4443 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-4443
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-4443
  • 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 8017-4443 available by request