S824-3128 Screening compound: 4-[1-(3-chloro-4-fluorobenzoyl)-4-(methoxymethyl)pyrrolidin-3-yl]pyridine

S824-3128 Screening compound: 4-[1-(3-chloro-4-fluorobenzoyl)-4-(methoxymethyl)pyrrolidin-3-yl]pyridine
S824-3128 Screening compound: 4-[1-(3-chloro-4-fluorobenzoyl)-4-(methoxymethyl)pyrrolidin-3-yl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S824-3128
4-[1-(3-chloro-4-fluorobenzoyl)-4-(methoxymethyl)pyrrolidin-3-yl]pyridine

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

S824-3128

Molecular Formula

C18H18ClFN2O2 (C18 H18 ClFN2 O2)

Compound Name

4-[1-(3-chloro-4-fluorobenzoyl)-4-(methoxymethyl)pyrrolidin-3-yl]pyridine

IUPAC name

4-[(3R4S)-1-(3-chloro-4-fluorobenzoyl)-4-(methoxymethyl)pyrrolidin-3-yl]pyridine

SMILES

COC[C@@H](CN(C1)C(c(cc2)cc(Cl)c2F)=O)[C@H]1c1ccncc1

InChI

InChI=1S/C18H18ClFN2O2/c1-24-11-14-9-22(10-15(14)12-4-6-21-7-5-12)18(23)13-2-3-17(20)16(19)8-13/h2-8,14-15H,9-11H2,1H3/t14-,15-/m0/s1

InChI Key

JZOFLCJMXBKGHF-GJZGRUSLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.8

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.444

Distribution Coefficient, logD

2.336

Water Solubility, LogSw

-3.25

Polar Surface Area

34.700

Acid Dissociation Constant (pKa)

23.64

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.33

S824-3128 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Cardiovascular Library (22201 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S824-3128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S824-3128?
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What is the minimum amount of S824-3128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S824-3128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S824-3128
  • 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 S824-3128 available by request