S829-0889 Screening compound: 4-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]-1-(ethanesulfonyl)piperidine

S829-0889 Screening compound: 4-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]-1-(ethanesulfonyl)piperidine
S829-0889 Screening compound: 4-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]-1-(ethanesulfonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S829-0889
4-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]-1-(ethanesulfonyl)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

S829-0889

Molecular Formula

C13H24F2N2O3S (C13 H24 F2 N2 O3 S)

Compound Name

4-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]-1-(ethanesulfonyl)piperidine

IUPAC name

4-[(2S)-44-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]-1-(ethanesulfonyl)piperidine

SMILES

CCS(N(CC1)CCC1N(C1)[C@H](COC)CC1(F)F)(=O)=O

InChI

InChI=1S/C13H24F2N2O3S/c1-3-21(18,19)16-6-4-11(5-7-16)17-10-13(14,15)8-12(17)9-20-2/h11-12H,3-10H2,1-2H3/t12-/m0/s1

InChI Key

YLXFGXYZYUKXRJ-LBPRGKRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.480

Distribution Coefficient, logD

1.472

Water Solubility, LogSw

-1.68

Polar Surface Area

43.578

Acid Dissociation Constant (pKa)

22.12

Base Dissociation Constant (pKb)

5.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

100.00

S829-0889 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S829-0889 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S829-0889?
Check Price and Availability of S829-0889, 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 S829-0889 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S829-0889
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S829-0889
  • 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 S829-0889 available by request