6321-0439 Screening compound: 5-(2-chlorophenyl)-7-(3-methoxyphenyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

6321-0439 Screening compound: 5-(2-chlorophenyl)-7-(3-methoxyphenyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
6321-0439 Screening compound: 5-(2-chlorophenyl)-7-(3-methoxyphenyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6321-0439
5-(2-chlorophenyl)-7-(3-methoxyphenyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

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

6321-0439

Molecular Formula

C18H18ClN5O (C18 H18 ClN5 O)

Compound Name

5-(2-chlorophenyl)-7-(3-methoxyphenyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

IUPAC name

(5S7R)-5-(2-chlorophenyl)-7-(3-methoxyphenyl)-4H5H6H7H-[124]triazolo[15-a]pyrimidin-2-amine

SMILES

COc1cccc([C@H](C2)n3nc(N)nc3N[C@H]2c(cccc2)c2Cl)c1

InChI

InChI=1S/C18H18ClN5O/c1-25-12-6-4-5-11(9-12)16-10-15(13-7-2-3-8-14(13)19)21-18-22-17(20)23-24(16)18/h2-9,15-16H,10H2,1H3,(H3,20,21,22,23)/t15-,16-/m1/s1

InChI Key

QFOZXJJXXRICQD-HZPDHXFCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.83

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.610

Distribution Coefficient, logD

3.523

Water Solubility, LogSw

-3.86

Polar Surface Area

66.138

Acid Dissociation Constant (pKa)

15.42

Base Dissociation Constant (pKb)

6.74

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.20

6321-0439 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 6321-0439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6321-0439?
Check Price and Availability of 6321-0439, 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 6321-0439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6321-0439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6321-0439
  • 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 6321-0439 available by request