S331-0404 Screening compound: tert-butyl 3-(piperidin-4-yl)pyrrolidine-1-carboxylate

S331-0404 Screening compound: tert-butyl 3-(piperidin-4-yl)pyrrolidine-1-carboxylate
S331-0404 Screening compound: tert-butyl 3-(piperidin-4-yl)pyrrolidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound S331-0404
tert-butyl 3-(piperidin-4-yl)pyrrolidine-1-carboxylate

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

S331-0404

Molecular Formula

C14H26N2O2 (C14 H26 N2 O2)

Compound Name

tert-butyl 3-(piperidin-4-yl)pyrrolidine-1-carboxylate

IUPAC name

tert-butyl 3-(piperidin-4-yl)pyrrolidine-1-carboxylate

SMILES

CC(C)(C)OC(N(CC1)CC1C1CCNCC1)=O

InChI

InChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-9-6-12(10-16)11-4-7-15-8-5-11/h11-12,15H,4-10H2,1-3H3/t12-/m1/s1

InChI Key

ZMBPMEPXLHVGRX-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD09702200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

254.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.507

Distribution Coefficient, logD

-0.862

Water Solubility, LogSw

-1.67

Polar Surface Area

34.501

Acid Dissociation Constant (pKa)

26.09

Base Dissociation Constant (pKb)

9.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

92.86

S331-0404 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S331-0404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S331-0404?
Check Price and Availability of S331-0404, 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 S331-0404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S331-0404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S331-0404
  • 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 S331-0404 available by request