S831-3421 Screening compound: 3-[3-(methoxymethyl)-4-(pyridin-2-yl)pyrrolidine-1-carbonyl]pyridin-2-ol

S831-3421 Screening compound: 3-[3-(methoxymethyl)-4-(pyridin-2-yl)pyrrolidine-1-carbonyl]pyridin-2-ol
S831-3421 Screening compound: 3-[3-(methoxymethyl)-4-(pyridin-2-yl)pyrrolidine-1-carbonyl]pyridin-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S831-3421
3-[3-(methoxymethyl)-4-(pyridin-2-yl)pyrrolidine-1-carbonyl]pyridin-2-ol

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

S831-3421

Molecular Formula

C17H19N3O3 (C17 H19 N3 O3)

Compound Name

3-[3-(methoxymethyl)-4-(pyridin-2-yl)pyrrolidine-1-carbonyl]pyridin-2-ol

IUPAC name

3-[(3S4S)-3-(methoxymethyl)-4-(pyridin-2-yl)pyrrolidine-1-carbonyl]pyridin-2-ol

SMILES

COC[C@@H](CN(C1)C(c(cccn2)c2O)=O)[C@H]1c1ncccc1

InChI

InChI=1S/C17H19N3O3/c1-23-11-12-9-20(10-14(12)15-6-2-3-7-18-15)17(22)13-5-4-8-19-16(13)21/h2-8,12,14H,9-11H2,1H3,(H,19,21)/t12-,14+/m0/s1

InChI Key

HMPVJMHHQXWOFM-GXTWGEPZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.314

Distribution Coefficient, logD

0.297

Water Solubility, LogSw

-2.08

Polar Surface Area

60.328

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

3.16

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.29

S831-3421 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 S831-3421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S831-3421?
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What is the minimum amount of S831-3421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S831-3421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S831-3421
  • 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 S831-3421 available by request