6321-0085 Screening compound: 7-(2-chloro-6-fluorophenyl)-5-(4-ethoxyphenyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine

6321-0085 Screening compound: 7-(2-chloro-6-fluorophenyl)-5-(4-ethoxyphenyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine
6321-0085 Screening compound: 7-(2-chloro-6-fluorophenyl)-5-(4-ethoxyphenyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6321-0085
7-(2-chloro-6-fluorophenyl)-5-(4-ethoxyphenyl)-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

6321-0085

Molecular Formula

C19H18ClFN4O (C19 H18 ClFN4 O)

Compound Name

7-(2-chloro-6-fluorophenyl)-5-(4-ethoxyphenyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine

IUPAC name

(5S7R)-7-(2-chloro-6-fluorophenyl)-5-(4-ethoxyphenyl)-4H5H6H7H-[124]triazolo[15-a]pyrimidine

SMILES

CCOc1ccc([C@@H](C2)Nc3ncnn3[C@@H]2c(c(F)ccc2)c2Cl)cc1

InChI

InChI=1S/C19H18ClFN4O/c1-2-26-13-8-6-12(7-9-13)16-10-17(25-19(24-16)22-11-23-25)18-14(20)4-3-5-15(18)21/h3-9,11,16-17H,2,10H2,1H3,(H,22,23,24)/t16-,17-/m0/s1

InChI Key

BQAWFTHNSWQFFT-IRXDYDNUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.83

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

4.175

Distribution Coefficient, logD

4.175

Water Solubility, LogSw

-4.52

Polar Surface Area

46.192

Acid Dissociation Constant (pKa)

15.42

Base Dissociation Constant (pKb)

3.20

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.30

6321-0085 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral HBV Library (10007 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6321-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6321-0085?
Check Price and Availability of 6321-0085, 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 6321-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6321-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6321-0085
  • 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 6321-0085 available by request