D494-0229 Screening compound: N-[(2-methylphenyl)methyl]-5-propyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

D494-0229 Screening compound: N-[(2-methylphenyl)methyl]-5-propyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
D494-0229 Screening compound: N-[(2-methylphenyl)methyl]-5-propyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D494-0229
N-[(2-methylphenyl)methyl]-5-propyl-2-(pyridin-3-yl)-[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

D494-0229

Molecular Formula

C21H22N6 (C21 H22 N6)

Compound Name

N-[(2-methylphenyl)methyl]-5-propyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

IUPAC name

N-[(2-methylphenyl)methyl]-5-propyl-2-(pyridin-3-yl)-[124]triazolo[15-a]pyrimidin-7-amine

SMILES

CCCc1nc2nc(-c3cnccc3)nn2c(NCc2c(C)cccc2)c1

InChI

InChI=1S/C21H22N6/c1-3-7-18-12-19(23-14-16-9-5-4-8-15(16)2)27-21(24-18)25-20(26-27)17-10-6-11-22-13-17/h4-6,8-13,23H,3,7,14H2,1-2H3

InChI Key

TWDGWRHVTSLDEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27589303

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.45

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

4.320

Distribution Coefficient, logD

4.081

Water Solubility, LogSw

-4.08

Polar Surface Area

51.369

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

D494-0229 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with D494-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D494-0229?
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What is the minimum amount of D494-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D494-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D494-0229
  • 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 D494-0229 available by request