S824-2065 Screening compound: {1-[(6-methoxypyridin-2-yl)methyl]-4-(pyridin-4-yl)pyrrolidin-3-yl}methanol

S824-2065 Screening compound: {1-[(6-methoxypyridin-2-yl)methyl]-4-(pyridin-4-yl)pyrrolidin-3-yl}methanol
S824-2065 Screening compound: {1-[(6-methoxypyridin-2-yl)methyl]-4-(pyridin-4-yl)pyrrolidin-3-yl}methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound S824-2065
{1-[(6-methoxypyridin-2-yl)methyl]-4-(pyridin-4-yl)pyrrolidin-3-yl}methanol

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

S824-2065

Molecular Formula

C17H21N3O2 (C17 H21 N3 O2)

Compound Name

{1-[(6-methoxypyridin-2-yl)methyl]-4-(pyridin-4-yl)pyrrolidin-3-yl}methanol

IUPAC name

[(3S4R)-1-[(6-methoxypyridin-2-yl)methyl]-4-(pyridin-4-yl)pyrrolidin-3-yl]methanol

SMILES

COc1nc(CN(C[C@@H]2CO)C[C@@H]2c2ccncc2)ccc1

InChI

InChI=1S/C17H21N3O2/c1-22-17-4-2-3-15(19-17)10-20-9-14(12-21)16(11-20)13-5-7-18-8-6-13/h2-8,14,16,21H,9-12H2,1H3/t14-,16-/m0/s1

InChI Key

FDUVMLVYQVQTKD-HOCLYGCPSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.601

Distribution Coefficient, logD

-1.305

Water Solubility, LogSw

-1.88

Polar Surface Area

47.031

Acid Dissociation Constant (pKa)

16.52

Base Dissociation Constant (pKb)

10.31

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.18

S824-2065 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with S824-2065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S824-2065?
Check Price and Availability of S824-2065, 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 S824-2065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S824-2065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S824-2065
  • 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 S824-2065 available by request