C301-3580 Screening compound: ethyl 1-phenyl-1H-1,2,4-triazole-3-carboxylate

C301-3580 Screening compound: ethyl 1-phenyl-1H-1,2,4-triazole-3-carboxylate
C301-3580 Screening compound: ethyl 1-phenyl-1H-1,2,4-triazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-3580
ethyl 1-phenyl-1H-1,2,4-triazole-3-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

C301-3580

Molecular Formula

C11H11N3O2 (C11 H11 N3 O2)

Compound Name

ethyl 1-phenyl-1H-1,2,4-triazole-3-carboxylate

IUPAC name

ethyl 1-phenyl-1H-124-triazole-3-carboxylate

SMILES

CCOC(c(nc1)nn1-c1ccccc1)=O

InChI

InChI=1S/C11H11N3O2/c1-2-16-11(15)10-12-8-14(13-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3

InChI Key

XBTNIWJUEHOJSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03837854

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

217.23

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.877

Distribution Coefficient, logD

1.877

Water Solubility, LogSw

-2.12

Polar Surface Area

44.932

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

-2.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

C301-3580 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C301-3580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-3580?
Check Price and Availability of C301-3580, 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 C301-3580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-3580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-3580
  • 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 C301-3580 available by request