S823-2415 Screening compound: 2-(4-chlorophenyl)-N-[4-(hydroxymethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]acetamide

S823-2415 Screening compound: 2-(4-chlorophenyl)-N-[4-(hydroxymethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]acetamide
S823-2415 Screening compound: 2-(4-chlorophenyl)-N-[4-(hydroxymethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S823-2415
2-(4-chlorophenyl)-N-[4-(hydroxymethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]acetamide

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

S823-2415

Molecular Formula

C18H25ClN2O3 (C18 H25 ClN2 O3)

Compound Name

2-(4-chlorophenyl)-N-[4-(hydroxymethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]acetamide

IUPAC name

2-(4-chlorophenyl)-N-[(3S4R)-4-(hydroxymethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]acetamide

SMILES

OC[C@@H](CN(C1)C2CCOCC2)[C@H]1NC(Cc(cc1)ccc1Cl)=O

InChI

InChI=1S/C18H25ClN2O3/c19-15-3-1-13(2-4-15)9-18(23)20-17-11-21(10-14(17)12-22)16-5-7-24-8-6-16/h1-4,14,16-17,22H,5-12H2,(H,20,23)/t14-,17+/m1/s1

InChI Key

DGYOKUWIJBLVSN-PBHICJAKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.165

Distribution Coefficient, logD

-2.334

Water Solubility, LogSw

-2.36

Polar Surface Area

52.904

Acid Dissociation Constant (pKa)

15.06

Base Dissociation Constant (pKb)

10.90

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

61.11

S823-2415 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S823-2415 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S823-2415?
Check Price and Availability of S823-2415, 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 S823-2415 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S823-2415
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S823-2415
  • 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 S823-2415 available by request