D245-0562 Screening compound: 2-benzyl-N-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

D245-0562 Screening compound: 2-benzyl-N-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
D245-0562 Screening compound: 2-benzyl-N-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D245-0562
2-benzyl-N-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-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

D245-0562

Molecular Formula

C20H19N5O (C20 H19 N5 O)

Compound Name

2-benzyl-N-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

IUPAC name

2-benzyl-N-(4-methoxyphenyl)-5-methyl-[124]triazolo[15-a]pyrimidin-7-amine

SMILES

Cc1nc2nc(Cc3ccccc3)nn2c(Nc(cc2)ccc2OC)c1

InChI

InChI=1S/C20H19N5O/c1-14-12-19(22-16-8-10-17(26-2)11-9-16)25-20(21-14)23-18(24-25)13-15-6-4-3-5-7-15/h3-12,22H,13H2,1-2H3

InChI Key

VFGCNJVMRZHWBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14815435

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.863

Distribution Coefficient, logD

3.859

Water Solubility, LogSw

-4.15

Polar Surface Area

48.375

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

5.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

D245-0562 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antifungal Library (16415 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cardiovascular
  • Metabolic
Agro:
  • Agro
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D245-0562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D245-0562?
Check Price and Availability of D245-0562, 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 D245-0562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D245-0562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D245-0562
  • 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 D245-0562 available by request