C141-0012 Screening compound: 1,2-bis(4-methoxyphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C141-0012 Screening compound: 1,2-bis(4-methoxyphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
C141-0012 Screening compound: 1,2-bis(4-methoxyphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C141-0012
1,2-bis(4-methoxyphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-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

C141-0012

Molecular Formula

C26H23F3N2O4 (C26 H23 F3 N2 O4)

Compound Name

1,2-bis(4-methoxyphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

IUPAC name

12-bis(4-methoxyphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

SMILES

COc1ccc(C(C(CC2=O)C(Nc3cccc(C(F)(F)F)c3)=O)N2c(cc2)ccc2OC)cc1

InChI

InChI=1S/C26H23F3N2O4/c1-34-20-10-6-16(7-11-20)24-22(15-23(32)31(24)19-8-12-21(35-2)13-9-19)25(33)30-18-5-3-4-17(14-18)26(27,28)29/h3-14,22,24H,15H2,1-2H3,(H,30,33)

InChI Key

RRMDLLXJLSCBBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14722211

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.978

Distribution Coefficient, logD

4.935

Water Solubility, LogSw

-4.64

Polar Surface Area

54.134

Acid Dissociation Constant (pKa)

8.38

Base Dissociation Constant (pKb)

-2.21

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.10

C141-0012 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C141-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C141-0012?
Check Price and Availability of C141-0012, 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 C141-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C141-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C141-0012
  • 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 C141-0012 available by request