C125-0035 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide

C125-0035 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
C125-0035 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C125-0035
N-(5-chloro-2,4-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)-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

C125-0035

Molecular Formula

C29H31ClN2O7 (C29 H31 ClN2 O7)

Compound Name

N-(5-chloro-2,4-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide

IUPAC name

N-(5-chloro-24-dimethoxyphenyl)-2-(34-dimethoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide

SMILES

COc(cc1)ccc1N(C(C(CC1)C(Nc(c(OC)c2)cc(Cl)c2OC)=O)c(cc2)cc(OC)c2OC)C1=O

InChI

InChI=1S/C29H31ClN2O7/c1-35-19-9-7-18(8-10-19)32-27(33)13-11-20(28(32)17-6-12-23(36-2)26(14-17)39-5)29(34)31-22-15-21(30)24(37-3)16-25(22)38-4/h6-10,12,14-16,20,28H,11,13H2,1-5H3,(H,31,34)

InChI Key

BYCIDHJMCKQESK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14720864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.03

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.453

Distribution Coefficient, logD

4.048

Water Solubility, LogSw

-4.82

Polar Surface Area

76.048

Acid Dissociation Constant (pKa)

7.21

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.00

C125-0035 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C125-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C125-0035?
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What is the minimum amount of C125-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C125-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C125-0035
  • 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 C125-0035 available by request