D494-0549 Screening compound: 3-{[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}-1-(4-phenylpiperazin-1-yl)propan-1-one

D494-0549 Screening compound: 3-{[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}-1-(4-phenylpiperazin-1-yl)propan-1-one
D494-0549 Screening compound: 3-{[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}-1-(4-phenylpiperazin-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D494-0549
3-{[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}-1-(4-phenylpiperazin-1-yl)propan-1-one

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

D494-0549

Molecular Formula

C24H26N8O (C24 H26 N8 O)

Compound Name

3-{[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}-1-(4-phenylpiperazin-1-yl)propan-1-one

IUPAC name

3-{[5-methyl-2-(pyridin-3-yl)-[124]triazolo[15-a]pyrimidin-7-yl]amino}-1-(4-phenylpiperazin-1-yl)propan-1-one

SMILES

Cc1nc2nc(-c3cnccc3)nn2c(NCCC(N(CC2)CCN2c2ccccc2)=O)c1

InChI

InChI=1S/C24H26N8O/c1-18-16-21(32-24(27-18)28-23(29-32)19-6-5-10-25-17-19)26-11-9-22(33)31-14-12-30(13-15-31)20-7-3-2-4-8-20/h2-8,10,16-17,26H,9,11-15H2,1H3

InChI Key

DWPDDMPSEGKEPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27589464

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.689

Distribution Coefficient, logD

1.535

Water Solubility, LogSw

-1.65

Polar Surface Area

70.175

Acid Dissociation Constant (pKa)

17.64

Base Dissociation Constant (pKb)

7.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with D494-0549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D494-0549?
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What is the minimum amount of D494-0549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D494-0549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D494-0549
  • 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 D494-0549 available by request