L329-0290 Screening compound: 1,3-dimethyl-6-{4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl}-1,2,3,4-tetrahydropyrimidine-2,4-dione

L329-0290 Screening compound: 1,3-dimethyl-6-{4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl}-1,2,3,4-tetrahydropyrimidine-2,4-dione
L329-0290 Screening compound: 1,3-dimethyl-6-{4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl}-1,2,3,4-tetrahydropyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound L329-0290
1,3-dimethyl-6-{4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl}-1,2,3,4-tetrahydropyrimidine-2,4-dione

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

L329-0290

Molecular Formula

C18H19F3N4O3 (C18 H19 F3 N4 O3)

Compound Name

1,3-dimethyl-6-{4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl}-1,2,3,4-tetrahydropyrimidine-2,4-dione

IUPAC name

13-dimethyl-6-{4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl}-1234-tetrahydropyrimidine-24-dione

SMILES

CN(C(C=C(N1C)N(CC2)CCN2C(c2c(C(F)(F)F)cccc2)=O)=O)C1=O

InChI

InChI=1S/C18H19F3N4O3/c1-22-14(11-15(26)23(2)17(22)28)24-7-9-25(10-8-24)16(27)12-5-3-4-6-13(12)18(19,20)21/h3-6,11H,7-10H2,1-2H3

InChI Key

XNPCCYFWGIUHDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27642468

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.541

Distribution Coefficient, logD

1.541

Water Solubility, LogSw

-2.16

Polar Surface Area

52.180

Acid Dissociation Constant (pKa)

29.11

Base Dissociation Constant (pKb)

-2.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

L329-0290 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with L329-0290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L329-0290?
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What is the minimum amount of L329-0290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L329-0290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L329-0290
  • 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 L329-0290 available by request