4826-0020 Screening compound: N~1~-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-4-methyl-1-benzenesulfonamide

4826-0020 Screening compound: N~1~-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-4-methyl-1-benzenesulfonamide
4826-0020 Screening compound: N~1~-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-4-methyl-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4826-0020
N~1~-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-4-methyl-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

4826-0020

Molecular Formula

C15H15N5O2S (C15 H15 N5 O2 S)

Compound Name

N~1~-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-4-methyl-1-benzenesulfonamide

IUPAC name

n/a

SMILES

Cc(cc1)ccc1S(Nc(nc1N)nn1-c1ccccc1)(=O)=O

InChI

InChI=1S/C15H15N5O2S/c1-11-7-9-13(10-8-11)23(21,22)19-15-17-14(16)20(18-15)12-5-3-2-4-6-12/h2-10H,1H3,(H3,16,17,18,19)

InChI Key

AYVJTHPAISYOHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03147140

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.437

Distribution Coefficient, logD

2.383

Water Solubility, LogSw

-3.10

Polar Surface Area

86.706

Acid Dissociation Constant (pKa)

8.28

Base Dissociation Constant (pKb)

2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

4826-0020 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Dark Chemical Matter Library (18430 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4826-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4826-0020?
Check Price and Availability of 4826-0020, 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 4826-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4826-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4826-0020
  • 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 4826-0020 available by request