S322-0064 Screening compound: 4-[4,4-bis(1H-indol-3-yl)piperidine-1-carbonyl]-1-(4-chloro-2-methylphenyl)pyrrolidin-2-one

S322-0064 Screening compound: 4-[4,4-bis(1H-indol-3-yl)piperidine-1-carbonyl]-1-(4-chloro-2-methylphenyl)pyrrolidin-2-one
S322-0064 Screening compound: 4-[4,4-bis(1H-indol-3-yl)piperidine-1-carbonyl]-1-(4-chloro-2-methylphenyl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S322-0064
4-[4,4-bis(1H-indol-3-yl)piperidine-1-carbonyl]-1-(4-chloro-2-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

S322-0064

Molecular Formula

C33H31ClN4O2 (C33 H31 ClN4 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc(cc1)Cl)c1N(CC(C1)C(N(CC2)CCC2(c2c[nH]c3c2cccc3)c2c[nH]c3c2cccc3)=O)C1=O

InChI

InChI=1S/C33H31ClN4O2/c1-21-16-23(34)10-11-30(21)38-20-22(17-31(38)39)32(40)37-14-12-33(13-15-37,26-18-35-28-8-4-2-6-24(26)28)27-19-36-29-9-5-3-7-25(27)29/h2-11,16,18-19,22,35-36H,12-15,17,20H2,1H3/t22-/m1/s1

InChI Key

NKTBBAYCXRBLNO-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD27617990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

551.09

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

6.503

Distribution Coefficient, logD

6.503

Water Solubility, LogSw

-6.07

Polar Surface Area

52.534

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

-3.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

S322-0064 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Indole Derivatives (10091 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
Targets:
  • Kinases
Structure:
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S322-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S322-0064?
Check Price and Availability of S322-0064, 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 S322-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S322-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S322-0064
  • 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 S322-0064 available by request