S322-0096 Screening compound: 4-[4,4-bis(1H-indol-2-yl)piperidine-1-carbonyl]-1-(3-methylphenyl)pyrrolidin-2-one

S322-0096 Screening compound: 4-[4,4-bis(1H-indol-2-yl)piperidine-1-carbonyl]-1-(3-methylphenyl)pyrrolidin-2-one
S322-0096 Screening compound: 4-[4,4-bis(1H-indol-2-yl)piperidine-1-carbonyl]-1-(3-methylphenyl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S322-0096
4-[4,4-bis(1H-indol-2-yl)piperidine-1-carbonyl]-1-(3-methylphenyl)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

S322-0096

Molecular Formula

C33H32N4O2 (C33 H32 N4 O2)

Compound Name

4-[4,4-bis(1H-indol-2-yl)piperidine-1-carbonyl]-1-(3-methylphenyl)pyrrolidin-2-one

IUPAC name

4-[44-bis(1H-indol-2-yl)piperidine-1-carbonyl]-1-(3-methylphenyl)pyrrolidin-2-one

SMILES

Cc1cccc(N(CC(C2)C(N(CC3)CCC3(c3cc(cccc4)c4[nH]3)c3cc(cccc4)c4[nH]3)=O)C2=O)c1

InChI

InChI=1S/C33H32N4O2/c1-22-7-6-10-26(17-22)37-21-25(20-31(37)38)32(39)36-15-13-33(14-16-36,29-18-23-8-2-4-11-27(23)34-29)30-19-24-9-3-5-12-28(24)35-30/h2-12,17-19,25,34-35H,13-16,20-21H2,1H3/t25-/m1/s1

InChI Key

NCJIXDBHBYADIY-RUZDIDTESA-N

MDL Number (MFCD)

MFCD27618015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.64

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.288

Distribution Coefficient, logD

6.288

Water Solubility, LogSw

-6.28

Polar Surface Area

51.792

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

-2.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

S322-0096 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S322-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S322-0096?
Check Price and Availability of S322-0096, 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 S322-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S322-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S322-0096
  • 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 S322-0096 available by request