6321-0204 Screening compound: 5-(2-chlorophenyl)-7-(3,4-dimethoxyphenyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine

6321-0204 Screening compound: 5-(2-chlorophenyl)-7-(3,4-dimethoxyphenyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine
6321-0204 Screening compound: 5-(2-chlorophenyl)-7-(3,4-dimethoxyphenyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6321-0204
5-(2-chlorophenyl)-7-(3,4-dimethoxyphenyl)-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

6321-0204

Molecular Formula

C19H19ClN4O2 (C19 H19 ClN4 O2)

Compound Name

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

IUPAC name

(5S7R)-5-(2-chlorophenyl)-7-(34-dimethoxyphenyl)-4H5H6H7H-[124]triazolo[15-a]pyrimidine

SMILES

COc(ccc([C@H](C1)n2ncnc2N[C@H]1c(cccc1)c1Cl)c1)c1OC

InChI

InChI=1S/C19H19ClN4O2/c1-25-17-8-7-12(9-18(17)26-2)16-10-15(13-5-3-4-6-14(13)20)23-19-21-11-22-24(16)19/h3-9,11,15-16H,10H2,1-2H3,(H,21,22,23)/t15-,16-/m1/s1

InChI Key

IWLZNVQGZISRKT-HZPDHXFCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.84

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.566

Distribution Coefficient, logD

3.566

Water Solubility, LogSw

-3.91

Polar Surface Area

54.330

Acid Dissociation Constant (pKa)

15.42

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.30

6321-0204 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 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
  • Cyclic compounds
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 6321-0204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6321-0204?
Check Price and Availability of 6321-0204, 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 6321-0204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6321-0204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6321-0204
  • 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 6321-0204 available by request