C186-0153 Screening compound: N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide

C186-0153 Screening compound: N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
C186-0153 Screening compound: N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C186-0153
N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-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

C186-0153

Molecular Formula

C29H31FN2O6 (C29 H31 FN2 O6)

Compound Name

N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide

IUPAC name

N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-6-oxo-1-(345-trimethoxyphenyl)piperidine-3-carboxamide

SMILES

COc1ccc(C(C(CCC2=O)C(NCc(cc3)ccc3F)=O)N2c(cc2OC)cc(OC)c2OC)cc1

InChI

InChI=1S/C29H31FN2O6/c1-35-22-11-7-19(8-12-22)27-23(29(34)31-17-18-5-9-20(30)10-6-18)13-14-26(33)32(27)21-15-24(36-2)28(38-4)25(16-21)37-3/h5-12,15-16,23,27H,13-14,17H2,1-4H3,(H,31,34)

InChI Key

DGFRUAVLLRMZHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14724439

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.537

Distribution Coefficient, logD

3.537

Water Solubility, LogSw

-3.94

Polar Surface Area

70.524

Acid Dissociation Constant (pKa)

10.93

Base Dissociation Constant (pKb)

-2.06

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.00

C186-0153 in Drug Discovery

Included in Screening Libraries

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

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C186-0153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C186-0153?
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What is the minimum amount of C186-0153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C186-0153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C186-0153
  • 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 C186-0153 available by request