S831-3302 Screening compound: 2-[4-(METHOXYMETHYL)-1-(PROPANE-2-SULFONYL)PYRROLIDIN-3-YL]PYRIDINE

S831-3302 Screening compound: 2-[4-(METHOXYMETHYL)-1-(PROPANE-2-SULFONYL)PYRROLIDIN-3-YL]PYRIDINE
S831-3302 Screening compound: 2-[4-(METHOXYMETHYL)-1-(PROPANE-2-SULFONYL)PYRROLIDIN-3-YL]PYRIDINE alternative view

Chemical Structure Depiction of ChemDiv screening compound S831-3302
2-[4-(METHOXYMETHYL)-1-(PROPANE-2-SULFONYL)PYRROLIDIN-3-YL]PYRIDINE

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

S831-3302

Molecular Formula

C14H22N2O3S (C14 H22 N2 O3 S)

Compound Name

2-[4-(METHOXYMETHYL)-1-(PROPANE-2-SULFONYL)PYRROLIDIN-3-YL]PYRIDINE

IUPAC name

n/a

SMILES

CC(C)S(N(C[C@@H]1COC)C[C@@H]1c1ncccc1)(=O)=O

InChI

InChI=1S/C14H22N2O3S/c1-11(2)20(17,18)16-8-12(10-19-3)13(9-16)14-6-4-5-7-15-14/h4-7,11-13H,8-10H2,1-3H3/t12-,13+/m0/s1

InChI Key

CPKKVJBRTAGCDA-QWHCGFSZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.41

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

1.281

Distribution Coefficient, logD

1.281

Water Solubility, LogSw

-2.33

Polar Surface Area

49.654

Acid Dissociation Constant (pKa)

19.76

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

64.30

S831-3302 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 S831-3302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S831-3302?
Check Price and Availability of S831-3302, 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 S831-3302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S831-3302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S831-3302
  • 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 S831-3302 available by request