8017-3901 Screening compound: 2,6-dimethyl-N~1~-(2-phenoxyethyl)-4-(1H-1,2,3,4-tetraazol-1-yl)-1-benzenesulfonamide

8017-3901 Screening compound: 2,6-dimethyl-N~1~-(2-phenoxyethyl)-4-(1H-1,2,3,4-tetraazol-1-yl)-1-benzenesulfonamide
8017-3901 Screening compound: 2,6-dimethyl-N~1~-(2-phenoxyethyl)-4-(1H-1,2,3,4-tetraazol-1-yl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-3901
2,6-dimethyl-N~1~-(2-phenoxyethyl)-4-(1H-1,2,3,4-tetraazol-1-yl)-1-benzenesulfonamide

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

8017-3901

Molecular Formula

C17H19N5O3S (C17 H19 N5 O3 S)

Compound Name

2,6-dimethyl-N~1~-(2-phenoxyethyl)-4-(1H-1,2,3,4-tetraazol-1-yl)-1-benzenesulfonamide

IUPAC name

26-dimethyl-N-(2-phenoxyethyl)-4-(1H-1234-tetrazol-1-yl)benzene-1-sulfonamide

SMILES

Cc1cc(-n2nnnc2)cc(C)c1S(NCCOc1ccccc1)(=O)=O

InChI

InChI=1S/C17H19N5O3S/c1-13-10-15(22-12-18-20-21-22)11-14(2)17(13)26(23,24)19-8-9-25-16-6-4-3-5-7-16/h3-7,10-12,19H,8-9H2,1-2H3

InChI Key

QCWFEJPBCPYSCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06016441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.250

Distribution Coefficient, logD

3.249

Water Solubility, LogSw

-3.51

Polar Surface Area

89.021

Acid Dissociation Constant (pKa)

10.24

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.53

8017-3901 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8017-3901 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-3901?
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What is the minimum amount of 8017-3901 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3901
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3901
  • 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 8017-3901 available by request