C125-0261 Screening compound: N-[3-(azepan-1-yl)propyl]-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide

C125-0261 Screening compound: N-[3-(azepan-1-yl)propyl]-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
C125-0261 Screening compound: N-[3-(azepan-1-yl)propyl]-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C125-0261
N-[3-(azepan-1-yl)propyl]-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-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

C125-0261

Molecular Formula

C28H36FN3O3 (C28 H36 FN3 O3)

Compound Name

N-[3-(azepan-1-yl)propyl]-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide

IUPAC name

N-[3-(azepan-1-yl)propyl]-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide

SMILES

COc(cc1)ccc1N(C(C(CC1)C(NCCCN2CCCCCC2)=O)c(cc2)ccc2F)C1=O

InChI

InChI=1S/C28H36FN3O3/c1-35-24-13-11-23(12-14-24)32-26(33)16-15-25(27(32)21-7-9-22(29)10-8-21)28(34)30-17-6-20-31-18-4-2-3-5-19-31/h7-14,25,27H,2-6,15-20H2,1H3,(H,30,34)

InChI Key

WCXSSQGAMKXNHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14720945

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.774

Distribution Coefficient, logD

1.145

Water Solubility, LogSw

-4.12

Polar Surface Area

51.701

Acid Dissociation Constant (pKa)

13.86

Base Dissociation Constant (pKb)

10.03

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

C125-0261 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

SmartTM Library (51161 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C125-0261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C125-0261?
Check Price and Availability of C125-0261, 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 C125-0261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C125-0261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C125-0261
  • 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 C125-0261 available by request