S824-1927 Screening compound: 2-(3-chlorophenyl)-1-[3-(hydroxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]ethan-1-one

S824-1927 Screening compound: 2-(3-chlorophenyl)-1-[3-(hydroxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]ethan-1-one
S824-1927 Screening compound: 2-(3-chlorophenyl)-1-[3-(hydroxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S824-1927
2-(3-chlorophenyl)-1-[3-(hydroxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]ethan-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

S824-1927

Molecular Formula

C18H19ClN2O2 (C18 H19 ClN2 O2)

Compound Name

2-(3-chlorophenyl)-1-[3-(hydroxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]ethan-1-one

IUPAC name

2-(3-chlorophenyl)-1-[(3S4R)-3-(hydroxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]ethan-1-one

SMILES

OC[C@@H](CN(C1)C(Cc2cccc(Cl)c2)=O)[C@H]1c1ccncc1

InChI

InChI=1S/C18H19ClN2O2/c19-16-3-1-2-13(8-16)9-18(23)21-10-15(12-22)17(11-21)14-4-6-20-7-5-14/h1-8,15,17,22H,9-12H2/t15-,17-/m0/s1

InChI Key

VLDCKSOMNQEHRR-RDJZCZTQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.81

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.366

Distribution Coefficient, logD

2.259

Water Solubility, LogSw

-2.88

Polar Surface Area

42.864

Acid Dissociation Constant (pKa)

16.52

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.33

S824-1927 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S824-1927 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S824-1927?
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What is the minimum amount of S824-1927 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S824-1927
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S824-1927
  • 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 S824-1927 available by request