5454-0200 Screening compound: 2,5-bis(4-chlorophenyl)-7-(4-methoxyphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine

5454-0200 Screening compound: 2,5-bis(4-chlorophenyl)-7-(4-methoxyphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine
5454-0200 Screening compound: 2,5-bis(4-chlorophenyl)-7-(4-methoxyphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5454-0200
2,5-bis(4-chlorophenyl)-7-(4-methoxyphenyl)-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

5454-0200

Molecular Formula

C24H18Cl2N4O (C24 H18 Cl2 N4 O)

Compound Name

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

IUPAC name

25-bis(4-chlorophenyl)-7-(4-methoxyphenyl)-4H7H-[124]triazolo[15-a]pyrimidine

SMILES

COc1ccc(C2n3nc(-c(cc4)ccc4Cl)nc3NC(c(cc3)ccc3Cl)=C2)cc1

InChI

InChI=1S/C24H18Cl2N4O/c1-31-20-12-6-16(7-13-20)22-14-21(15-2-8-18(25)9-3-15)27-24-28-23(29-30(22)24)17-4-10-19(26)11-5-17/h2-14,22H,1H3,(H,27,28,29)/t22-/m1/s1

InChI Key

AQFAZOZBWBGLSX-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD03298501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.34

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

6.974

Distribution Coefficient, logD

6.974

Water Solubility, LogSw

-6.94

Polar Surface Area

44.931

Acid Dissociation Constant (pKa)

10.58

Base Dissociation Constant (pKb)

-2.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.30

5454-0200 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Targeted Diversity Library (40567 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

References: we are preparing a list of scientific research reports with 5454-0200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5454-0200?
Check Price and Availability of 5454-0200, 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 5454-0200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5454-0200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5454-0200
  • 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 5454-0200 available by request