C186-0094 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(4-methoxyphenyl)-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide

C186-0094 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(4-methoxyphenyl)-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
C186-0094 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(4-methoxyphenyl)-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C186-0094
N-[2-(cyclohex-1-en-1-yl)ethyl]-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

C186-0094

Molecular Formula

C30H38N2O6 (C30 H38 N2 O6)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(4-methoxyphenyl)-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(4-methoxyphenyl)-6-oxo-1-(345-trimethoxyphenyl)piperidine-3-carboxamide

SMILES

COc1ccc(C(C(CCC2=O)C(NCCC3=CCCCC3)=O)N2c(cc2OC)cc(OC)c2OC)cc1

InChI

InChI=1S/C30H38N2O6/c1-35-23-12-10-21(11-13-23)28-24(30(34)31-17-16-20-8-6-5-7-9-20)14-15-27(33)32(28)22-18-25(36-2)29(38-4)26(19-22)37-3/h8,10-13,18-19,24,28H,5-7,9,14-17H2,1-4H3,(H,31,34)

InChI Key

LDZZUUDFJJLAHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14724409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.052

Distribution Coefficient, logD

4.052

Water Solubility, LogSw

-4.45

Polar Surface Area

70.558

Acid Dissociation Constant (pKa)

13.39

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.70

C186-0094 in Drug Discovery

Included in Screening Libraries

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 C186-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C186-0094?
Check Price and Availability of C186-0094, 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 C186-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C186-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C186-0094
  • 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 C186-0094 available by request