5225-0339 Screening compound: 2-(3,4-dimethoxyphenyl)-5-methyl-7-(3-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

5225-0339 Screening compound: 2-(3,4-dimethoxyphenyl)-5-methyl-7-(3-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
5225-0339 Screening compound: 2-(3,4-dimethoxyphenyl)-5-methyl-7-(3-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5225-0339
2-(3,4-dimethoxyphenyl)-5-methyl-7-(3-methylphenyl)-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

5225-0339

Molecular Formula

C22H23N5O3 (C22 H23 N5 O3)

Compound Name

2-(3,4-dimethoxyphenyl)-5-methyl-7-(3-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

IUPAC name

2-(34-dimethoxyphenyl)-5-methyl-7-(3-methylphenyl)-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxamide

SMILES

Cc1cccc(C2n3nc(-c(cc4)cc(OC)c4OC)nc3NC(C)=C2C(N)=O)c1

InChI

InChI=1S/C22H23N5O3/c1-12-6-5-7-14(10-12)19-18(20(23)28)13(2)24-22-25-21(26-27(19)22)15-8-9-16(29-3)17(11-15)30-4/h5-11,19H,1-4H3,(H2,23,28)(H,24,25,26)/t19-/m0/s1

InChI Key

NJHREVLGEWZZKU-IBGZPJMESA-N

MDL Number (MFCD)

MFCD05899291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.152

Distribution Coefficient, logD

3.152

Water Solubility, LogSw

-3.24

Polar Surface Area

86.097

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

2.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

5225-0339 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 5225-0339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5225-0339?
Check Price and Availability of 5225-0339, 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 5225-0339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5225-0339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5225-0339
  • 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 5225-0339 available by request