C595-0539 Screening compound: 4-(4-methoxybenzenesulfonyl)-5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazole

C595-0539 Screening compound: 4-(4-methoxybenzenesulfonyl)-5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazole
C595-0539 Screening compound: 4-(4-methoxybenzenesulfonyl)-5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C595-0539
4-(4-methoxybenzenesulfonyl)-5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazole

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

C595-0539

Molecular Formula

C17H17N3O3S (C17 H17 N3 O3 S)

Compound Name

4-(4-methoxybenzenesulfonyl)-5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazole

IUPAC name

4-(4-methoxybenzenesulfonyl)-5-methyl-1-(4-methylphenyl)-1H-123-triazole

SMILES

Cc(n(-c1ccc(C)cc1)nn1)c1S(c(cc1)ccc1OC)(=O)=O

InChI

InChI=1S/C17H17N3O3S/c1-12-4-6-14(7-5-12)20-13(2)17(18-19-20)24(21,22)16-10-8-15(23-3)9-11-16/h4-11H,1-3H3

InChI Key

JEIADBPZWKOKPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14774264

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.286

Distribution Coefficient, logD

3.286

Water Solubility, LogSw

-3.60

Polar Surface Area

63.901

Acid Dissociation Constant (pKa)

21.58

Base Dissociation Constant (pKb)

-2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

C595-0539 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

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 C595-0539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C595-0539?
Check Price and Availability of C595-0539, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C595-0539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C595-0539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C595-0539
  • 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 C595-0539 available by request