5223-8262 Screening compound: N-(4-fluorophenyl)-2-(3-hydroxypropyl)-5-methyl-7-(3,4,5-trimethoxyphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

5223-8262 Screening compound: N-(4-fluorophenyl)-2-(3-hydroxypropyl)-5-methyl-7-(3,4,5-trimethoxyphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
5223-8262 Screening compound: N-(4-fluorophenyl)-2-(3-hydroxypropyl)-5-methyl-7-(3,4,5-trimethoxyphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5223-8262
N-(4-fluorophenyl)-2-(3-hydroxypropyl)-5-methyl-7-(3,4,5-trimethoxyphenyl)-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

5223-8262

Molecular Formula

C25H28FN5O5 (C25 H28 FN5 O5)

Compound Name

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

IUPAC name

N-(4-fluorophenyl)-2-(3-hydroxypropyl)-5-methyl-7-(345-trimethoxyphenyl)-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxamide

SMILES

CC(Nc1nc(CCCO)nn1C1c(cc2OC)cc(OC)c2OC)=C1C(Nc(cc1)ccc1F)=O

InChI

InChI=1S/C25H28FN5O5/c1-14-21(24(33)28-17-9-7-16(26)8-10-17)22(31-25(27-14)29-20(30-31)6-5-11-32)15-12-18(34-2)23(36-4)19(13-15)35-3/h7-10,12-13,22,32H,5-6,11H2,1-4H3,(H,28,33)(H,27,29,30)/t22-/m0/s1

InChI Key

XEHOXCRHZVFGAN-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD04426533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.522

Distribution Coefficient, logD

2.502

Water Solubility, LogSw

-3.05

Polar Surface Area

100.764

Acid Dissociation Constant (pKa)

8.72

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

5223-8262 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 5223-8262 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5223-8262?
Check Price and Availability of 5223-8262, 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 5223-8262 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5223-8262
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5223-8262
  • 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 5223-8262 available by request