S322-0114 Screening compound: 3-[4-(1H-indol-3-yl)-1-[(1-phenylpyrrolidin-3-yl)methyl]piperidin-4-yl]-1H-indole

S322-0114 Screening compound: 3-[4-(1H-indol-3-yl)-1-[(1-phenylpyrrolidin-3-yl)methyl]piperidin-4-yl]-1H-indole
S322-0114 Screening compound: 3-[4-(1H-indol-3-yl)-1-[(1-phenylpyrrolidin-3-yl)methyl]piperidin-4-yl]-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound S322-0114
3-[4-(1H-indol-3-yl)-1-[(1-phenylpyrrolidin-3-yl)methyl]piperidin-4-yl]-1H-indole

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

S322-0114

Molecular Formula

C32H34N4 (C32 H34 N4)

Compound Name

3-[4-(1H-indol-3-yl)-1-[(1-phenylpyrrolidin-3-yl)methyl]piperidin-4-yl]-1H-indole

IUPAC name

3-[4-(1H-indol-3-yl)-1-[(1-phenylpyrrolidin-3-yl)methyl]piperidin-4-yl]-1H-indole

SMILES

C(C(CC1)CN1c1ccccc1)N(CC1)CCC1(c1c[nH]c2c1cccc2)c1c[nH]c2c1cccc2

InChI

InChI=1S/C32H34N4/c1-2-8-25(9-3-1)36-17-14-24(23-36)22-35-18-15-32(16-19-35,28-20-33-30-12-6-4-10-26(28)30)29-21-34-31-13-7-5-11-27(29)31/h1-13,20-21,24,33-34H,14-19,22-23H2/t24-/m1/s1

InChI Key

DZQPBZQDFPYWLV-XMMPIXPASA-N

MDL Number (MFCD)

MFCD27618026

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

474.65

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.786

Distribution Coefficient, logD

4.766

Water Solubility, LogSw

-6.62

Polar Surface Area

26.921

Acid Dissociation Constant (pKa)

17.89

Base Dissociation Constant (pKb)

9.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

S322-0114 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

DGK Inhibitors Library (10558 compounds)

Indole Derivatives (10091 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S322-0114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S322-0114?
Check Price and Availability of S322-0114, 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 S322-0114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S322-0114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S322-0114
  • 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 S322-0114 available by request