D245-0564 Screening compound: 2-benzyl-N-(4-ethoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

D245-0564 Screening compound: 2-benzyl-N-(4-ethoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
D245-0564 Screening compound: 2-benzyl-N-(4-ethoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D245-0564
2-benzyl-N-(4-ethoxyphenyl)-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

D245-0564

Molecular Formula

C21H21N5O (C21 H21 N5 O)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1Nc1cc(C)nc2nc(Cc3ccccc3)nn12

InChI

InChI=1S/C21H21N5O/c1-3-27-18-11-9-17(10-12-18)23-20-13-15(2)22-21-24-19(25-26(20)21)14-16-7-5-4-6-8-16/h4-13,23H,3,14H2,1-2H3

InChI Key

PLIUPEQOWDFHDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14815437

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.250

Distribution Coefficient, logD

4.246

Water Solubility, LogSw

-4.22

Polar Surface Area

47.954

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

5.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

D245-0564 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Purinergic Library (3321 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • Receptor's ligands
Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with D245-0564 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D245-0564?
Check Price and Availability of D245-0564, 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 D245-0564 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D245-0564
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D245-0564
  • 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 D245-0564 available by request