S824-2386 Screening compound: 1-[3-(hydroxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]-2-(3-methylphenoxy)ethan-1-one

S824-2386 Screening compound: 1-[3-(hydroxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]-2-(3-methylphenoxy)ethan-1-one
S824-2386 Screening compound: 1-[3-(hydroxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]-2-(3-methylphenoxy)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S824-2386
1-[3-(hydroxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]-2-(3-methylphenoxy)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

S824-2386

Molecular Formula

C19H22N2O3 (C19 H22 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(OCC(N(C[C@@H]2CO)C[C@@H]2c2ccncc2)=O)c1

InChI

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

InChI Key

NHHUCDVUARNPDL-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

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.658

Distribution Coefficient, logD

1.551

Water Solubility, LogSw

-2.07

Polar Surface Area

50.363

Acid Dissociation Constant (pKa)

16.52

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.84

S824-2386 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S824-2386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S824-2386?
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What is the minimum amount of S824-2386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S824-2386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S824-2386
  • 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 S824-2386 available by request