D205-0458 Screening compound: ethyl 2-(4-fluorobenzamido)-7-hydroxy-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

D205-0458 Screening compound: ethyl 2-(4-fluorobenzamido)-7-hydroxy-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
D205-0458 Screening compound: ethyl 2-(4-fluorobenzamido)-7-hydroxy-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D205-0458
ethyl 2-(4-fluorobenzamido)-7-hydroxy-[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

D205-0458

Molecular Formula

C15H12FN5O4 (C15 H12 FN5 O4)

Compound Name

ethyl 2-(4-fluorobenzamido)-7-hydroxy-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

IUPAC name

ethyl 2-(4-fluorobenzamido)-7-hydroxy-[124]triazolo[15-a]pyrimidine-6-carboxylate

SMILES

CCOC(c(cnc1nc(NC(c(cc2)ccc2F)=O)nn11)c1O)=O

InChI

InChI=1S/C15H12FN5O4/c1-2-25-13(24)10-7-17-15-19-14(20-21(15)12(10)23)18-11(22)8-3-5-9(16)6-4-8/h3-7,23H,2H2,1H3,(H,18,20,22)

InChI Key

VDBMOTNXORBDRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14814047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.29

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.221

Distribution Coefficient, logD

-1.113

Water Solubility, LogSw

-2.23

Polar Surface Area

91.732

Acid Dissociation Constant (pKa)

5.07

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

D205-0458 in Drug Discovery

Included in Screening Libraries

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

Purinergic Library (3321 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

New Agro Library (44492 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Kinases
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D205-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D205-0458?
Check Price and Availability of D205-0458, 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 D205-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D205-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D205-0458
  • 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 D205-0458 available by request