Y010-0421 Screening compound: N-cyclohexyl-5-{[(4-methylphenyl)sulfonyl]amino}-1H-1,2,3-triazole-4-carboxamide

Y010-0421 Screening compound: N-cyclohexyl-5-{[(4-methylphenyl)sulfonyl]amino}-1H-1,2,3-triazole-4-carboxamide
Y010-0421 Screening compound: N-cyclohexyl-5-{[(4-methylphenyl)sulfonyl]amino}-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-0421
N-cyclohexyl-5-{[(4-methylphenyl)sulfonyl]amino}-1H-1,2,3-triazole-4-carboxamide

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

Y010-0421

Molecular Formula

C16H21N5O3S (C16 H21 N5 O3 S)

Compound Name

N-cyclohexyl-5-{[(4-methylphenyl)sulfonyl]amino}-1H-1,2,3-triazole-4-carboxamide

IUPAC name

N-cyclohexyl-5-(4-methylbenzenesulfonamido)-1H-123-triazole-4-carboxamide

SMILES

Cc(cc1)ccc1S(Nc1c(C(NC2CCCCC2)=O)nn[nH]1)(=O)=O

InChI

InChI=1S/C16H21N5O3S/c1-11-7-9-13(10-8-11)25(23,24)20-15-14(18-21-19-15)16(22)17-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,17,22)(H2,18,19,20,21)

InChI Key

KYCMVWSGLVUDGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06242852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.141

Distribution Coefficient, logD

-1.037

Water Solubility, LogSw

-2.82

Polar Surface Area

102.340

Acid Dissociation Constant (pKa)

4.22

Base Dissociation Constant (pKb)

-2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.75

Y010-0421 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PI3K-Targeted Library (17255 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y010-0421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-0421?
Check Price and Availability of Y010-0421, 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 Y010-0421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-0421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-0421
  • 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 Y010-0421 available by request