C200-4622 Screening compound: 4-(4-ethylbenzenesulfonyl)-1-(3-methylphenyl)-1H-1,2,3-triazol-5-amine

C200-4622 Screening compound: 4-(4-ethylbenzenesulfonyl)-1-(3-methylphenyl)-1H-1,2,3-triazol-5-amine
C200-4622 Screening compound: 4-(4-ethylbenzenesulfonyl)-1-(3-methylphenyl)-1H-1,2,3-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-4622
4-(4-ethylbenzenesulfonyl)-1-(3-methylphenyl)-1H-1,2,3-triazol-5-amine

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

C200-4622

Molecular Formula

C17H18N4O2S (C17 H18 N4 O2 S)

Compound Name

4-(4-ethylbenzenesulfonyl)-1-(3-methylphenyl)-1H-1,2,3-triazol-5-amine

IUPAC name

4-(4-ethylbenzenesulfonyl)-1-(3-methylphenyl)-1H-123-triazol-5-amine

SMILES

CCc(cc1)ccc1S(c1c(N)n(-c2cc(C)ccc2)nn1)(=O)=O

InChI

InChI=1S/C17H18N4O2S/c1-3-13-7-9-15(10-8-13)24(22,23)17-16(18)21(20-19-17)14-6-4-5-12(2)11-14/h4-11H,3,18H2,1-2H3

InChI Key

BJZVCORFVCABNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.608

Distribution Coefficient, logD

3.608

Water Solubility, LogSw

-3.74

Polar Surface Area

75.608

Acid Dissociation Constant (pKa)

20.29

Base Dissociation Constant (pKb)

-3.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

C200-4622 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C200-4622 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-4622?
Check Price and Availability of C200-4622, 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 C200-4622 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-4622
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-4622
  • 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 C200-4622 available by request