L328-0133 Screening compound: 1-(3-ethyl-1-methyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-N~3~-(4-methylbenzyl)-3-piperidinecarboxamide

L328-0133 Screening compound: 1-(3-ethyl-1-methyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-N~3~-(4-methylbenzyl)-3-piperidinecarboxamide
L328-0133 Screening compound: 1-(3-ethyl-1-methyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-N~3~-(4-methylbenzyl)-3-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L328-0133
1-(3-ethyl-1-methyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-N~3~-(4-methylbenzyl)-3-piperidinecarboxamide

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

L328-0133

Molecular Formula

C21H28N4O3 (C21 H28 N4 O3)

Compound Name

1-(3-ethyl-1-methyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-N~3~-(4-methylbenzyl)-3-piperidinecarboxamide

IUPAC name

1-(3-ethyl-1-methyl-26-dioxo-1236-tetrahydropyrimidin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide

SMILES

CCN(C(N(CCC1)CC1C(NCc1ccc(C)cc1)=O)=CC(N1C)=O)C1=O

InChI

InChI=1S/C21H28N4O3/c1-4-25-18(12-19(26)23(3)21(25)28)24-11-5-6-17(14-24)20(27)22-13-16-9-7-15(2)8-10-16/h7-10,12,17H,4-6,11,13-14H2,1-3H3,(H,22,27)/t17-/m0/s1

InChI Key

JPPXNYCXVUEWFW-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27246080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.890

Distribution Coefficient, logD

1.890

Water Solubility, LogSw

-2.30

Polar Surface Area

60.030

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.62

L328-0133 in Drug Discovery

Included in Screening Libraries

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L328-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L328-0133?
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What is the minimum amount of L328-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L328-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L328-0133
  • 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 L328-0133 available by request