S824-3280 Screening compound: 2-[3-(methoxymethyl)-4-(pyridin-4-yl)pyrrolidine-1-carbonyl]quinoline

S824-3280 Screening compound: 2-[3-(methoxymethyl)-4-(pyridin-4-yl)pyrrolidine-1-carbonyl]quinoline
S824-3280 Screening compound: 2-[3-(methoxymethyl)-4-(pyridin-4-yl)pyrrolidine-1-carbonyl]quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound S824-3280
2-[3-(methoxymethyl)-4-(pyridin-4-yl)pyrrolidine-1-carbonyl]quinoline

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

S824-3280

Molecular Formula

C21H21N3O2 (C21 H21 N3 O2)

Compound Name

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

IUPAC name

2-[(3S4R)-3-(methoxymethyl)-4-(pyridin-4-yl)pyrrolidine-1-carbonyl]quinoline

SMILES

COC[C@@H](CN(C1)C(c2nc3ccccc3cc2)=O)[C@H]1c1ccncc1

InChI

InChI=1S/C21H21N3O2/c1-26-14-17-12-24(13-18(17)15-8-10-22-11-9-15)21(25)20-7-6-16-4-2-3-5-19(16)23-20/h2-11,17-18H,12-14H2,1H3/t17-,18-/m0/s1

InChI Key

ATHYQSQGFCYIAL-ROUUACIJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.706

Distribution Coefficient, logD

2.599

Water Solubility, LogSw

-2.87

Polar Surface Area

43.031

Acid Dissociation Constant (pKa)

23.72

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.57

S824-3280 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S824-3280 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S824-3280?
Check Price and Availability of S824-3280, 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 S824-3280 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S824-3280
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S824-3280
  • 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 S824-3280 available by request