5225-0425 Screening compound: 2-(4-ethoxyphenyl)-5-methyl-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

5225-0425 Screening compound: 2-(4-ethoxyphenyl)-5-methyl-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
5225-0425 Screening compound: 2-(4-ethoxyphenyl)-5-methyl-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5225-0425
2-(4-ethoxyphenyl)-5-methyl-7-phenyl-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

5225-0425

Molecular Formula

C21H21N5O2 (C21 H21 N5 O2)

Compound Name

2-(4-ethoxyphenyl)-5-methyl-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

IUPAC name

2-(4-ethoxyphenyl)-5-methyl-7-phenyl-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxamide

SMILES

CCOc(cc1)ccc1-c1nn(C(c2ccccc2)C(C(N)=O)=C(C)N2)c2n1

InChI

InChI=1S/C21H21N5O2/c1-3-28-16-11-9-15(10-12-16)20-24-21-23-13(2)17(19(22)27)18(26(21)25-20)14-7-5-4-6-8-14/h4-12,18H,3H2,1-2H3,(H2,22,27)(H,23,24,25)/t18-/m0/s1

InChI Key

HLESAHNGEYWVCD-SFHVURJKSA-N

MDL Number (MFCD)

MFCD05716557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.365

Distribution Coefficient, logD

3.365

Water Solubility, LogSw

-3.42

Polar Surface Area

77.960

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

2.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

5225-0425 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5225-0425 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5225-0425?
Check Price and Availability of 5225-0425, 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 5225-0425 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5225-0425
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5225-0425
  • 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 5225-0425 available by request