D043-0025 Screening compound: ethyl 2-(4-chlorophenyl)-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

D043-0025 Screening compound: ethyl 2-(4-chlorophenyl)-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
D043-0025 Screening compound: ethyl 2-(4-chlorophenyl)-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D043-0025
ethyl 2-(4-chlorophenyl)-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-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

D043-0025

Molecular Formula

C14H11ClN4O3 (C14 H11 ClN4 O3)

Compound Name

ethyl 2-(4-chlorophenyl)-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

IUPAC name

ethyl 2-(4-chlorophenyl)-7-oxo-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxylate

SMILES

CCOC(C1=CNc2nc(-c(cc3)ccc3Cl)nn2C1=O)=O

InChI

InChI=1S/C14H11ClN4O3/c1-2-22-13(21)10-7-16-14-17-11(18-19(14)12(10)20)8-3-5-9(15)6-4-8/h3-7H,2H2,1H3,(H,16,17,18)

InChI Key

BWEHFTPIZJBWLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06613136

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.72

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.505

Distribution Coefficient, logD

0.754

Water Solubility, LogSw

-3.46

Polar Surface Area

71.243

Acid Dissociation Constant (pKa)

5.66

Base Dissociation Constant (pKb)

-6.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D043-0025 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D043-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D043-0025?
Check Price and Availability of D043-0025, 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 D043-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D043-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D043-0025
  • 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 D043-0025 available by request