D489-0129 Screening compound: 5-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-2-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

D489-0129 Screening compound: 5-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-2-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
D489-0129 Screening compound: 5-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-2-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D489-0129
5-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-2-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-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

D489-0129

Molecular Formula

C21H22N6O2S (C21 H22 N6 O2 S)

Compound Name

5-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-2-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

IUPAC name

5-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-2-(thiophen-2-yl)-4H7H-[124]triazolo[15-a]pyrimidin-7-one

SMILES

COc(cccc1)c1N1CCN(CC(Nc2nc(-c3cccs3)nn22)=CC2=O)CC1

InChI

InChI=1S/C21H22N6O2S/c1-29-17-6-3-2-5-16(17)26-10-8-25(9-11-26)14-15-13-19(28)27-21(22-15)23-20(24-27)18-7-4-12-30-18/h2-7,12-13H,8-11,14H2,1H3,(H,22,23,24)

InChI Key

DQTPMADKUXSTMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27589214

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

422.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.733

Distribution Coefficient, logD

2.362

Water Solubility, LogSw

-3.33

Polar Surface Area

66.681

Acid Dissociation Constant (pKa)

7.27

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D489-0129 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D489-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D489-0129?
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What is the minimum amount of D489-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D489-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D489-0129
  • 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 D489-0129 available by request