5454-0315 Screening compound: 7-(2-chlorophenyl)-5-(4-fluorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine

5454-0315 Screening compound: 7-(2-chlorophenyl)-5-(4-fluorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine
5454-0315 Screening compound: 7-(2-chlorophenyl)-5-(4-fluorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5454-0315
7-(2-chlorophenyl)-5-(4-fluorophenyl)-4H,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

5454-0315

Molecular Formula

C17H12ClFN4 (C17 H12 ClFN4)

Compound Name

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

IUPAC name

7-(2-chlorophenyl)-5-(4-fluorophenyl)-4H7H-[124]triazolo[15-a]pyrimidine

SMILES

Fc(cc1)ccc1C1=CC(c(cccc2)c2Cl)n2ncnc2N1

InChI

InChI=1S/C17H12ClFN4/c18-14-4-2-1-3-13(14)16-9-15(11-5-7-12(19)8-6-11)22-17-20-10-21-23(16)17/h1-10,16H,(H,20,21,22)/t16-/m0/s1

InChI Key

JNTLISWBQULGGX-INIZCTEOSA-N

MDL Number (MFCD)

MFCD02670710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.76

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.273

Distribution Coefficient, logD

4.267

Water Solubility, LogSw

-4.59

Polar Surface Area

38.600

Acid Dissociation Constant (pKa)

9.23

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

5.90

5454-0315 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antifungal Library (16415 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5454-0315 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5454-0315?
Check Price and Availability of 5454-0315, 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 5454-0315 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5454-0315
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5454-0315
  • 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 5454-0315 available by request