S824-2003 Screening compound: [1-(4-chlorobenzoyl)-4-(pyridin-4-yl)pyrrolidin-3-yl]methanol

S824-2003 Screening compound: [1-(4-chlorobenzoyl)-4-(pyridin-4-yl)pyrrolidin-3-yl]methanol
S824-2003 Screening compound: [1-(4-chlorobenzoyl)-4-(pyridin-4-yl)pyrrolidin-3-yl]methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound S824-2003
[1-(4-chlorobenzoyl)-4-(pyridin-4-yl)pyrrolidin-3-yl]methanol

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

S824-2003

Molecular Formula

C17H17ClN2O2 (C17 H17 ClN2 O2)

Compound Name

[1-(4-chlorobenzoyl)-4-(pyridin-4-yl)pyrrolidin-3-yl]methanol

IUPAC name

[(3S4R)-1-(4-chlorobenzoyl)-4-(pyridin-4-yl)pyrrolidin-3-yl]methanol

SMILES

OC[C@@H](CN(C1)C(c(cc2)ccc2Cl)=O)[C@H]1c1ccncc1

InChI

InChI=1S/C17H17ClN2O2/c18-15-3-1-13(2-4-15)17(22)20-9-14(11-21)16(10-20)12-5-7-19-8-6-12/h1-8,14,16,21H,9-11H2/t14-,16-/m0/s1

InChI Key

YJIXCTSIOFYCIE-HOCLYGCPSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.79

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.935

Distribution Coefficient, logD

1.827

Water Solubility, LogSw

-2.63

Polar Surface Area

43.391

Acid Dissociation Constant (pKa)

16.52

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.41

S824-2003 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Cardiovascular Library (22201 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S824-2003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S824-2003?
Check Price and Availability of S824-2003, 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 S824-2003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S824-2003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S824-2003
  • 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 S824-2003 available by request