8017-5165 Screening compound: N~1~-methyl-2-{5-[4-(methylsulfonyl)phenyl]-2H-1,2,3,4-tetraazol-2-yl}-N~1~-phenylacetamide

8017-5165 Screening compound: N~1~-methyl-2-{5-[4-(methylsulfonyl)phenyl]-2H-1,2,3,4-tetraazol-2-yl}-N~1~-phenylacetamide
8017-5165 Screening compound: N~1~-methyl-2-{5-[4-(methylsulfonyl)phenyl]-2H-1,2,3,4-tetraazol-2-yl}-N~1~-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-5165
N~1~-methyl-2-{5-[4-(methylsulfonyl)phenyl]-2H-1,2,3,4-tetraazol-2-yl}-N~1~-phenylacetamide

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

8017-5165

Molecular Formula

C17H17N5O3S (C17 H17 N5 O3 S)

Compound Name

N~1~-methyl-2-{5-[4-(methylsulfonyl)phenyl]-2H-1,2,3,4-tetraazol-2-yl}-N~1~-phenylacetamide

IUPAC name

2-[5-(4-methanesulfonylphenyl)-2H-1234-tetrazol-2-yl]-N-methyl-N-phenylacetamide

SMILES

CN(C(Cn1nnc(-c(cc2)ccc2S(C)(=O)=O)n1)=O)c1ccccc1

InChI

InChI=1S/C17H17N5O3S/c1-21(14-6-4-3-5-7-14)16(23)12-22-19-17(18-20-22)13-8-10-15(11-9-13)26(2,24)25/h3-11H,12H2,1-2H3

InChI Key

XBROVHBXPGTLAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06017524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.812

Distribution Coefficient, logD

0.812

Water Solubility, LogSw

-2.16

Polar Surface Area

83.204

Acid Dissociation Constant (pKa)

21.03

Base Dissociation Constant (pKb)

0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

References: we are preparing a list of scientific research reports with 8017-5165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-5165?
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What is the minimum amount of 8017-5165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-5165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-5165
  • 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 8017-5165 available by request