S331-0039 Screening compound: 1-methyl-4-(pyrrolidin-3-yl)piperidine

S331-0039 Screening compound: 1-methyl-4-(pyrrolidin-3-yl)piperidine
S331-0039 Screening compound: 1-methyl-4-(pyrrolidin-3-yl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S331-0039
1-methyl-4-(pyrrolidin-3-yl)piperidine

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

S331-0039

Molecular Formula

C10H20N2 (C10 H20 N2)

Compound Name

1-methyl-4-(pyrrolidin-3-yl)piperidine

IUPAC name

1-methyl-4-(pyrrolidin-3-yl)piperidine

SMILES

CN(CC1)CCC1C1CNCC1

InChI

InChI=1S/C10H20N2/c1-12-6-3-9(4-7-12)10-2-5-11-8-10/h9-11H,2-8H2,1H3/t10-/m0/s1

InChI Key

SCIGNRJWFLJIEM-JTQLQIEISA-N

MDL Number (MFCD)

MFCD20309231

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

168.28

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

0.441

Distribution Coefficient, logD

-2.206

Water Solubility, LogSw

-0.00

Polar Surface Area

16.085

Acid Dissociation Constant (pKa)

25.72

Base Dissociation Constant (pKb)

10.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

100.00

S331-0039 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S331-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S331-0039?
Check Price and Availability of S331-0039, 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 S331-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S331-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S331-0039
  • 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 S331-0039 available by request