S322-0047 Screening compound: 4-[4,4-bis(1H-indol-3-yl)piperidine-1-carbonyl]-1-[(pyridin-3-yl)methyl]pyrrolidin-2-one

S322-0047 Screening compound: 4-[4,4-bis(1H-indol-3-yl)piperidine-1-carbonyl]-1-[(pyridin-3-yl)methyl]pyrrolidin-2-one
S322-0047 Screening compound: 4-[4,4-bis(1H-indol-3-yl)piperidine-1-carbonyl]-1-[(pyridin-3-yl)methyl]pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S322-0047
4-[4,4-bis(1H-indol-3-yl)piperidine-1-carbonyl]-1-[(pyridin-3-yl)methyl]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

S322-0047

Molecular Formula

C32H31N5O2 (C32 H31 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(C1)CN(Cc2cnccc2)C1=O)N(CC1)CCC1(c1c[nH]c2c1cccc2)c1c[nH]c2c1cccc2

InChI

InChI=1S/C32H31N5O2/c38-30-16-23(21-37(30)20-22-6-5-13-33-17-22)31(39)36-14-11-32(12-15-36,26-18-34-28-9-3-1-7-24(26)28)27-19-35-29-10-4-2-8-25(27)29/h1-10,13,17-19,23,34-35H,11-12,14-16,20-21H2/t23-/m1/s1

InChI Key

KCVLMDAAXFNIQT-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD27617975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.351

Distribution Coefficient, logD

3.350

Water Solubility, LogSw

-3.18

Polar Surface Area

62.799

Acid Dissociation Constant (pKa)

15.06

Base Dissociation Constant (pKb)

4.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.10

S322-0047 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 S322-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S322-0047?
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What is the minimum amount of S322-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S322-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S322-0047
  • 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 S322-0047 available by request