C141-0078 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C141-0078 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
C141-0078 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C141-0078
N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-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

C141-0078

Molecular Formula

C29H32N2O6 (C29 H32 N2 O6)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-12-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

SMILES

COc1ccc(C(C(CC2=O)C(NCCc(cc3)cc(OC)c3OC)=O)N2c(cc2)ccc2OC)cc1

InChI

InChI=1S/C29H32N2O6/c1-34-22-10-6-20(7-11-22)28-24(18-27(32)31(28)21-8-12-23(35-2)13-9-21)29(33)30-16-15-19-5-14-25(36-3)26(17-19)37-4/h5-14,17,24,28H,15-16,18H2,1-4H3,(H,30,33)

InChI Key

MTRKLTZKHFKNFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14722244

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.58

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

3.102

Distribution Coefficient, logD

3.102

Water Solubility, LogSw

-3.31

Polar Surface Area

70.558

Acid Dissociation Constant (pKa)

11.29

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.00

C141-0078 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Anti-HIV1 Library (19540 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
  • Cancer
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with C141-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C141-0078?
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What is the minimum amount of C141-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C141-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C141-0078
  • 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 C141-0078 available by request