C141-0083 Screening compound: ethyl 4-[1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate

C141-0083 Screening compound: ethyl 4-[1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate
C141-0083 Screening compound: ethyl 4-[1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C141-0083
ethyl 4-[1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate

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

C141-0083

Molecular Formula

C26H31N3O6 (C26 H31 N3 O6)

Compound Name

ethyl 4-[1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate

IUPAC name

ethyl 4-[12-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(C(CC1=O)C(c(cc2)ccc2OC)N1c(cc1)ccc1OC)=O)=O

InChI

InChI=1S/C26H31N3O6/c1-4-35-26(32)28-15-13-27(14-16-28)25(31)22-17-23(30)29(19-7-11-21(34-3)12-8-19)24(22)18-5-9-20(33-2)10-6-18/h5-12,22,24H,4,13-17H2,1-3H3

InChI Key

FBFIPXNHAUQFMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14722245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.806

Distribution Coefficient, logD

2.806

Water Solubility, LogSw

-2.99

Polar Surface Area

70.471

Acid Dissociation Constant (pKa)

11.29

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.30

C141-0083 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C141-0083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C141-0083?
Check Price and Availability of C141-0083, 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 C141-0083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C141-0083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C141-0083
  • 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 C141-0083 available by request