C141-0100 Screening compound: 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-1,5-bis(4-methoxyphenyl)pyrrolidin-2-one

C141-0100 Screening compound: 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-1,5-bis(4-methoxyphenyl)pyrrolidin-2-one
C141-0100 Screening compound: 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-1,5-bis(4-methoxyphenyl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C141-0100
4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-1,5-bis(4-methoxyphenyl)pyrrolidin-2-one

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

C141-0100

Molecular Formula

C31H33N3O6 (C31 H33 N3 O6)

Compound Name

4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-1,5-bis(4-methoxyphenyl)pyrrolidin-2-one

IUPAC name

4-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-15-bis(4-methoxyphenyl)pyrrolidin-2-one

SMILES

COc1ccc(C(C(CC2=O)C(N3CCN(Cc(cc4)cc5c4OCO5)CC3)=O)N2c(cc2)ccc2OC)cc1

InChI

InChI=1S/C31H33N3O6/c1-37-24-8-4-22(5-9-24)30-26(18-29(35)34(30)23-6-10-25(38-2)11-7-23)31(36)33-15-13-32(14-16-33)19-21-3-12-27-28(17-21)40-20-39-27/h3-12,17,26,30H,13-16,18-20H2,1-2H3

InChI Key

JRNOASBGIVATNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14722253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

543.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.455

Distribution Coefficient, logD

2.987

Water Solubility, LogSw

-3.56

Polar Surface Area

68.347

Acid Dissociation Constant (pKa)

11.29

Base Dissociation Constant (pKb)

7.69

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.50

C141-0100 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C141-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C141-0100?
Check Price and Availability of C141-0100, 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 C141-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C141-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C141-0100
  • 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 C141-0100 available by request