C186-0198 Screening compound: N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-(4-methoxyphenyl)-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide

C186-0198 Screening compound: N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-(4-methoxyphenyl)-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
C186-0198 Screening compound: N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-(4-methoxyphenyl)-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C186-0198
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)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

C186-0198

Molecular Formula

C31H34N2O8 (C31 H34 N2 O8)

Compound Name

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

IUPAC name

N-[(23-dihydro-14-benzodioxin-2-yl)methyl]-2-(4-methoxyphenyl)-6-oxo-1-(345-trimethoxyphenyl)piperidine-3-carboxamide

SMILES

COc1ccc(C(C(CCC2=O)C(NCC3Oc(cccc4)c4OC3)=O)N2c(cc2OC)cc(OC)c2OC)cc1

InChI

InChI=1S/C31H34N2O8/c1-36-21-11-9-19(10-12-21)29-23(31(35)32-17-22-18-40-24-7-5-6-8-25(24)41-22)13-14-28(34)33(29)20-15-26(37-2)30(39-4)27(16-20)38-3/h5-12,15-16,22-23,29H,13-14,17-18H2,1-4H3,(H,32,35)

InChI Key

SUVQCMZTIUUWAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14724456

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

562.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.696

Distribution Coefficient, logD

3.696

Water Solubility, LogSw

-4.23

Polar Surface Area

86.203

Acid Dissociation Constant (pKa)

12.89

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

35.50

C186-0198 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C186-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C186-0198?
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What is the minimum amount of C186-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C186-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C186-0198
  • 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 C186-0198 available by request