D494-0588 Screening compound: 3-{[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}-N-[(4-methylphenyl)methyl]propanamide

D494-0588 Screening compound: 3-{[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}-N-[(4-methylphenyl)methyl]propanamide
D494-0588 Screening compound: 3-{[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}-N-[(4-methylphenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D494-0588
3-{[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}-N-[(4-methylphenyl)methyl]propanamide

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

D494-0588

Molecular Formula

C22H23N7O (C22 H23 N7 O)

Compound Name

3-{[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}-N-[(4-methylphenyl)methyl]propanamide

IUPAC name

3-{[5-methyl-2-(pyridin-3-yl)-[124]triazolo[15-a]pyrimidin-7-yl]amino}-N-[(4-methylphenyl)methyl]propanamide

SMILES

Cc1ccc(CNC(CCNc2cc(C)nc3nc(-c4cnccc4)nn23)=O)cc1

InChI

InChI=1S/C22H23N7O/c1-15-5-7-17(8-6-15)13-25-20(30)9-11-24-19-12-16(2)26-22-27-21(28-29(19)22)18-4-3-10-23-14-18/h3-8,10,12,14,24H,9,11,13H2,1-2H3,(H,25,30)

InChI Key

ZKJHXOWUPHGZHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27589484

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.998

Distribution Coefficient, logD

1.845

Water Solubility, LogSw

-2.08

Polar Surface Area

74.993

Acid Dissociation Constant (pKa)

12.80

Base Dissociation Constant (pKb)

7.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with D494-0588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D494-0588?
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What is the minimum amount of D494-0588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D494-0588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D494-0588
  • 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 D494-0588 available by request