D351-0437 Screening compound: 2-(3-methylphenyl)-5-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

D351-0437 Screening compound: 2-(3-methylphenyl)-5-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
D351-0437 Screening compound: 2-(3-methylphenyl)-5-({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 D351-0437
2-(3-methylphenyl)-5-({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

D351-0437

Molecular Formula

C24H23F3N6O (C24 H23 F3 N6 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(-c(nc2NC(CN(CC3)CCN3c3cccc(C(F)(F)F)c3)=C3)nn2C3=O)c1

InChI

InChI=1S/C24H23F3N6O/c1-16-4-2-5-17(12-16)22-29-23-28-19(14-21(34)33(23)30-22)15-31-8-10-32(11-9-31)20-7-3-6-18(13-20)24(25,26)27/h2-7,12-14H,8-11,15H2,1H3,(H,28,29,30)

InChI Key

IPXUYVBOKBAACC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27580885

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.182

Distribution Coefficient, logD

3.888

Water Solubility, LogSw

-4.27

Polar Surface Area

58.333

Acid Dissociation Constant (pKa)

7.47

Base Dissociation Constant (pKb)

6.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

D351-0437 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D351-0437 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D351-0437?
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What is the minimum amount of D351-0437 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D351-0437
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D351-0437
  • 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 D351-0437 available by request