S824-2004 Screening compound: 2-furyl[(3S,4R)-3-(hydroxymethyl)-4-(4-pyridyl)tetrahydro-1H-pyrrol-1-yl]methanone

S824-2004 Screening compound: 2-furyl[(3S,4R)-3-(hydroxymethyl)-4-(4-pyridyl)tetrahydro-1H-pyrrol-1-yl]methanone
S824-2004 Screening compound: 2-furyl[(3S,4R)-3-(hydroxymethyl)-4-(4-pyridyl)tetrahydro-1H-pyrrol-1-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S824-2004
2-furyl[(3S,4R)-3-(hydroxymethyl)-4-(4-pyridyl)tetrahydro-1H-pyrrol-1-yl]methanone

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

S824-2004

Molecular Formula

C15H16N2O3 (C15 H16 N2 O3)

Compound Name

2-furyl[(3S,4R)-3-(hydroxymethyl)-4-(4-pyridyl)tetrahydro-1H-pyrrol-1-yl]methanone

IUPAC name

[(3S4R)-1-(furan-2-carbonyl)-4-(pyridin-4-yl)pyrrolidin-3-yl]methanol

SMILES

OC[C@@H](CN(C1)C(c2ccco2)=O)[C@H]1c1ccncc1

InChI

InChI=1S/C15H16N2O3/c18-10-12-8-17(15(19)14-2-1-7-20-14)9-13(12)11-3-5-16-6-4-11/h1-7,12-13,18H,8-10H2/t12-,13-/m0/s1

InChI Key

FGYUWEVGORCXDN-STQMWFEESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.757

Distribution Coefficient, logD

0.650

Water Solubility, LogSw

-1.26

Polar Surface Area

51.970

Acid Dissociation Constant (pKa)

16.52

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.33

S824-2004 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S824-2004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S824-2004?
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What is the minimum amount of S824-2004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S824-2004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S824-2004
  • 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 S824-2004 available by request