C595-0818 Screening compound: 3,4-dimethylphenyl (5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl) sulfone

C595-0818 Screening compound: 3,4-dimethylphenyl (5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl) sulfone
C595-0818 Screening compound: 3,4-dimethylphenyl (5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl) sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound C595-0818
3,4-dimethylphenyl (5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl) 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

C595-0818

Molecular Formula

C17H17N3O2S (C17 H17 N3 O2 S)

Compound Name

3,4-dimethylphenyl (5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl) sulfone

IUPAC name

4-(34-dimethylbenzenesulfonyl)-5-methyl-1-phenyl-1H-123-triazole

SMILES

Cc(n(-c1ccccc1)nn1)c1S(c1cc(C)c(C)cc1)(=O)=O

InChI

InChI=1S/C17H17N3O2S/c1-12-9-10-16(11-13(12)2)23(21,22)17-14(3)20(19-18-17)15-7-5-4-6-8-15/h4-11H,1-3H3

InChI Key

LZTYSCRNWGLZQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14774316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.648

Distribution Coefficient, logD

3.648

Water Solubility, LogSw

-3.83

Polar Surface Area

56.357

Acid Dissociation Constant (pKa)

21.58

Base Dissociation Constant (pKb)

-3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

C595-0818 in Drug Discovery

Included in Screening Libraries

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C595-0818 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C595-0818?
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What is the minimum amount of C595-0818 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C595-0818
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C595-0818
  • 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 C595-0818 available by request