D433-1496 Screening compound: 5-methyl-6-[(4-methylphenyl)methyl]-2-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

D433-1496 Screening compound: 5-methyl-6-[(4-methylphenyl)methyl]-2-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
D433-1496 Screening compound: 5-methyl-6-[(4-methylphenyl)methyl]-2-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D433-1496
5-methyl-6-[(4-methylphenyl)methyl]-2-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)-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

D433-1496

Molecular Formula

C26H27F3N6O (C26 H27 F3 N6 O)

Compound Name

5-methyl-6-[(4-methylphenyl)methyl]-2-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

IUPAC name

5-methyl-6-[(4-methylphenyl)methyl]-2-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)-4H7H-[124]triazolo[15-a]pyrimidin-7-one

SMILES

Cc1ccc(CC2=C(C)Nc3nc(CN(CC4)CCN4c4cccc(C(F)(F)F)c4)nn3C2=O)cc1

InChI

InChI=1S/C26H27F3N6O/c1-17-6-8-19(9-7-17)14-22-18(2)30-25-31-23(32-35(25)24(22)36)16-33-10-12-34(13-11-33)21-5-3-4-20(15-21)26(27,28)29/h3-9,15H,10-14,16H2,1-2H3,(H,30,31,32)

InChI Key

AXUQHOHJXUFGBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27586101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.323

Distribution Coefficient, logD

2.979

Water Solubility, LogSw

-4.29

Polar Surface Area

58.235

Acid Dissociation Constant (pKa)

6.08

Base Dissociation Constant (pKb)

4.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

D433-1496 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D433-1496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D433-1496?
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What is the minimum amount of D433-1496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D433-1496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D433-1496
  • 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 D433-1496 available by request