L321-0226 Screening compound: N-({1-[(3-chlorophenyl)methyl]piperidin-4-yl}methyl)-1-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperidine-4-carboxamide

L321-0226 Screening compound: N-({1-[(3-chlorophenyl)methyl]piperidin-4-yl}methyl)-1-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperidine-4-carboxamide
L321-0226 Screening compound: N-({1-[(3-chlorophenyl)methyl]piperidin-4-yl}methyl)-1-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L321-0226
N-({1-[(3-chlorophenyl)methyl]piperidin-4-yl}methyl)-1-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperidine-4-carboxamide

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

L321-0226

Molecular Formula

C25H34ClN5O3 (C25 H34 ClN5 O3)

Compound Name

N-({1-[(3-chlorophenyl)methyl]piperidin-4-yl}methyl)-1-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperidine-4-carboxamide

IUPAC name

N-({1-[(3-chlorophenyl)methyl]piperidin-4-yl}methyl)-1-(13-dimethyl-26-dioxo-1236-tetrahydropyrimidin-4-yl)piperidine-4-carboxamide

SMILES

CN(C(C=C(N1C)N(CC2)CCC2C(NCC2CCN(Cc3cccc(Cl)c3)CC2)=O)=O)C1=O

InChI

InChI=1S/C25H34ClN5O3/c1-28-22(15-23(32)29(2)25(28)34)31-12-8-20(9-13-31)24(33)27-16-18-6-10-30(11-7-18)17-19-4-3-5-21(26)14-19/h3-5,14-15,18,20H,6-13,16-17H2,1-2H3,(H,27,33)

InChI Key

AYUKCHKVYQKIDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15124016

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.03

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.751

Distribution Coefficient, logD

0.935

Water Solubility, LogSw

-3.53

Polar Surface Area

63.870

Acid Dissociation Constant (pKa)

14.15

Base Dissociation Constant (pKb)

9.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.00

L321-0226 in Drug Discovery

Included in Screening Libraries

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

Glucocorticoid receptors Library (4806 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
Targets:
  • Nuclear receptors
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L321-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L321-0226?
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What is the minimum amount of L321-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L321-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L321-0226
  • 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 L321-0226 available by request