6321-0168 Screening compound: 5-(4-ethylphenyl)-7-(2-methoxyphenyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine

6321-0168 Screening compound: 5-(4-ethylphenyl)-7-(2-methoxyphenyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine
6321-0168 Screening compound: 5-(4-ethylphenyl)-7-(2-methoxyphenyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6321-0168
5-(4-ethylphenyl)-7-(2-methoxyphenyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine

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

6321-0168

Molecular Formula

C20H22N4O (C20 H22 N4 O)

Compound Name

5-(4-ethylphenyl)-7-(2-methoxyphenyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine

IUPAC name

(5S7R)-5-(4-ethylphenyl)-7-(2-methoxyphenyl)-4H5H6H7H-[124]triazolo[15-a]pyrimidine

SMILES

CCc1ccc([C@@H](C2)Nc3ncnn3[C@@H]2c(cccc2)c2OC)cc1

InChI

InChI=1S/C20H22N4O/c1-3-14-8-10-15(11-9-14)17-12-18(24-20(23-17)21-13-22-24)16-6-4-5-7-19(16)25-2/h4-11,13,17-18H,3,12H2,1-2H3,(H,21,22,23)/t17-,18-/m0/s1

InChI Key

IJNCVHZIOZWXGR-ROUUACIJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.490

Distribution Coefficient, logD

4.490

Water Solubility, LogSw

-4.33

Polar Surface Area

46.699

Acid Dissociation Constant (pKa)

15.42

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.00

6321-0168 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epigenetics Focused Set (26518 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 6321-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6321-0168?
Check Price and Availability of 6321-0168, 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 6321-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6321-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6321-0168
  • 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 6321-0168 available by request