L566-0363 Screening compound: N1-cyclohexyl-N3-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide

L566-0363 Screening compound: N1-cyclohexyl-N3-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide
L566-0363 Screening compound: N1-cyclohexyl-N3-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L566-0363
N1-cyclohexyl-N3-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide

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

L566-0363

Molecular Formula

C21H30FN3O2 (C21 H30 FN3 O2)

Compound Name

N1-cyclohexyl-N3-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide

IUPAC name

N1-cyclohexyl-N3-[(4-fluorophenyl)methyl]-3-methylpiperidine-13-dicarboxamide

SMILES

CC(CCC1)(CN1C(NC1CCCCC1)=O)C(NCc(cc1)ccc1F)=O

InChI

InChI=1S/C21H30FN3O2/c1-21(19(26)23-14-16-8-10-17(22)11-9-16)12-5-13-25(15-21)20(27)24-18-6-3-2-4-7-18/h8-11,18H,2-7,12-15H2,1H3,(H,23,26)(H,24,27)/t21-/m0/s1

InChI Key

GXGPXXZVQRUYRG-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27462954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.538

Distribution Coefficient, logD

3.538

Water Solubility, LogSw

-3.56

Polar Surface Area

51.102

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

2.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

L566-0363 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 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 L566-0363 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L566-0363?
Check Price and Availability of L566-0363, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L566-0363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L566-0363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L566-0363
  • 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 L566-0363 available by request