K236-0021 Screening compound: methyl 5-amino-1-phenyl-1H-1,2,3-triazole-4-carboxylate

K236-0021 Screening compound: methyl 5-amino-1-phenyl-1H-1,2,3-triazole-4-carboxylate
K236-0021 Screening compound: methyl 5-amino-1-phenyl-1H-1,2,3-triazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K236-0021
methyl 5-amino-1-phenyl-1H-1,2,3-triazole-4-carboxylate

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

K236-0021

Molecular Formula

C10H10N4O2 (C10 H10 N4 O2)

Compound Name

methyl 5-amino-1-phenyl-1H-1,2,3-triazole-4-carboxylate

IUPAC name

methyl 5-amino-1-phenyl-1H-123-triazole-4-carboxylate

SMILES

COC(c1c(N)n(-c2ccccc2)nn1)=O

InChI

InChI=1S/C10H10N4O2/c1-16-10(15)8-9(11)14(13-12-8)7-5-3-2-4-6-7/h2-6H,11H2,1H3

InChI Key

XELSIYWNEIGXMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03830101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

218.22

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.755

Distribution Coefficient, logD

0.755

Water Solubility, LogSw

-1.24

Polar Surface Area

67.506

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

-2.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

K236-0021 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Structure:
  • Pool
  • Fragments

References: we are preparing a list of scientific research reports with K236-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K236-0021?
Check Price and Availability of K236-0021, 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 K236-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K236-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K236-0021
  • 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 K236-0021 available by request