S824-3472 Screening compound: 1-[3-(methoxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]-2-phenoxyethan-1-one

S824-3472 Screening compound: 1-[3-(methoxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]-2-phenoxyethan-1-one
S824-3472 Screening compound: 1-[3-(methoxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]-2-phenoxyethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S824-3472
1-[3-(methoxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]-2-phenoxyethan-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

S824-3472

Molecular Formula

C19H22N2O3 (C19 H22 N2 O3)

Compound Name

1-[3-(methoxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]-2-phenoxyethan-1-one

IUPAC name

1-[(3S4R)-3-(methoxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]-2-phenoxyethan-1-one

SMILES

COC[C@@H](CN(C1)C(COc2ccccc2)=O)[C@H]1c1ccncc1

InChI

InChI=1S/C19H22N2O3/c1-23-13-16-11-21(12-18(16)15-7-9-20-10-8-15)19(22)14-24-17-5-3-2-4-6-17/h2-10,16,18H,11-14H2,1H3/t16-,18-/m0/s1

InChI Key

LRGVNVARXDVQGT-WMZOPIPTSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.786

Distribution Coefficient, logD

1.679

Water Solubility, LogSw

-2.13

Polar Surface Area

41.672

Acid Dissociation Constant (pKa)

23.80

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.84

S824-3472 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S824-3472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S824-3472?
Check Price and Availability of S824-3472, 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 S824-3472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S824-3472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S824-3472
  • 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 S824-3472 available by request