5223-8352 Screening compound: 7-(4-ethoxyphenyl)-N-(4-fluorophenyl)-2-(3-hydroxypropyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

5223-8352 Screening compound: 7-(4-ethoxyphenyl)-N-(4-fluorophenyl)-2-(3-hydroxypropyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
5223-8352 Screening compound: 7-(4-ethoxyphenyl)-N-(4-fluorophenyl)-2-(3-hydroxypropyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5223-8352
7-(4-ethoxyphenyl)-N-(4-fluorophenyl)-2-(3-hydroxypropyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-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

5223-8352

Molecular Formula

C24H26FN5O3 (C24 H26 FN5 O3)

Compound Name

7-(4-ethoxyphenyl)-N-(4-fluorophenyl)-2-(3-hydroxypropyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

IUPAC name

7-(4-ethoxyphenyl)-N-(4-fluorophenyl)-2-(3-hydroxypropyl)-5-methyl-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxamide

SMILES

CCOc1ccc(C2n3nc(CCCO)nc3NC(C)=C2C(Nc(cc2)ccc2F)=O)cc1

InChI

InChI=1S/C24H26FN5O3/c1-3-33-19-12-6-16(7-13-19)22-21(23(32)27-18-10-8-17(25)9-11-18)15(2)26-24-28-20(5-4-14-31)29-30(22)24/h6-13,22,31H,3-5,14H2,1-2H3,(H,27,32)(H,26,28,29)/t22-/m0/s1

InChI Key

UXTQGPXQEBXROB-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD04426537

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.161

Distribution Coefficient, logD

3.141

Water Solubility, LogSw

-3.31

Polar Surface Area

84.910

Acid Dissociation Constant (pKa)

8.72

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

5223-8352 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 5223-8352 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5223-8352?
Check Price and Availability of 5223-8352, 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 5223-8352 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5223-8352
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5223-8352
  • 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 5223-8352 available by request