S831-0671 Screening compound: 2-methoxy-1-[3-(pyridin-2-yl)-4-[(pyridin-3-yloxy)methyl]pyrrolidin-1-yl]ethan-1-one

S831-0671 Screening compound: 2-methoxy-1-[3-(pyridin-2-yl)-4-[(pyridin-3-yloxy)methyl]pyrrolidin-1-yl]ethan-1-one
S831-0671 Screening compound: 2-methoxy-1-[3-(pyridin-2-yl)-4-[(pyridin-3-yloxy)methyl]pyrrolidin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S831-0671
2-methoxy-1-[3-(pyridin-2-yl)-4-[(pyridin-3-yloxy)methyl]pyrrolidin-1-yl]ethan-1-one

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

S831-0671

Molecular Formula

C18H21N3O3 (C18 H21 N3 O3)

Compound Name

2-methoxy-1-[3-(pyridin-2-yl)-4-[(pyridin-3-yloxy)methyl]pyrrolidin-1-yl]ethan-1-one

IUPAC name

2-methoxy-1-[(3S4S)-3-(pyridin-2-yl)-4-[(pyridin-3-yloxy)methyl]pyrrolidin-1-yl]ethan-1-one

SMILES

COCC(N(C[C@@H]1COc2cnccc2)C[C@@H]1c1ncccc1)=O

InChI

InChI=1S/C18H21N3O3/c1-23-13-18(22)21-10-14(12-24-15-5-4-7-19-9-15)16(11-21)17-6-2-3-8-20-17/h2-9,14,16H,10-13H2,1H3/t14-,16+/m0/s1

InChI Key

VMWYLEWVGQAHBP-GOEBONIOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.667

Distribution Coefficient, logD

0.662

Water Solubility, LogSw

-1.22

Polar Surface Area

50.809

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

5.47

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.89

S831-0671 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

Soluble Diversity Library (15920 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S831-0671 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S831-0671?
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What is the minimum amount of S831-0671 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S831-0671
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S831-0671
  • 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 S831-0671 available by request