C368-0719 Screening compound: 5-amino-1-{[(3,5-dimethylphenyl)carbamoyl]methyl}-N-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide

C368-0719 Screening compound: 5-amino-1-{[(3,5-dimethylphenyl)carbamoyl]methyl}-N-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
C368-0719 Screening compound: 5-amino-1-{[(3,5-dimethylphenyl)carbamoyl]methyl}-N-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C368-0719
5-amino-1-{[(3,5-dimethylphenyl)carbamoyl]methyl}-N-[3-(methylsulfanyl)phenyl]-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

C368-0719

Molecular Formula

C20H22N6O2S (C20 H22 N6 O2 S)

Compound Name

5-amino-1-{[(3,5-dimethylphenyl)carbamoyl]methyl}-N-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide

IUPAC name

5-amino-1-{[(35-dimethylphenyl)carbamoyl]methyl}-N-[3-(methylsulfanyl)phenyl]-1H-123-triazole-4-carboxamide

SMILES

Cc1cc(NC(Cn2nnc(C(Nc3cccc(SC)c3)=O)c2N)=O)cc(C)c1

InChI

InChI=1S/C20H22N6O2S/c1-12-7-13(2)9-15(8-12)22-17(27)11-26-19(21)18(24-25-26)20(28)23-14-5-4-6-16(10-14)29-3/h4-10H,11,21H2,1-3H3,(H,22,27)(H,23,28)

InChI Key

PITUIOGUHDGHEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14753763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.843

Distribution Coefficient, logD

2.843

Water Solubility, LogSw

-3.22

Polar Surface Area

92.437

Acid Dissociation Constant (pKa)

12.22

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C368-0719 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Aurora A-B Kinases Targeted Library (9426 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:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C368-0719 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C368-0719?
Check Price and Availability of C368-0719, 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 C368-0719 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C368-0719
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C368-0719
  • 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 C368-0719 available by request