S823-2475 Screening compound: 3-fluoro-N-[(3S,4R)-4-(hydroxymethyl)-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-yl]-4-methoxybenzamide

S823-2475 Screening compound: 3-fluoro-N-[(3S,4R)-4-(hydroxymethyl)-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-yl]-4-methoxybenzamide
S823-2475 Screening compound: 3-fluoro-N-[(3S,4R)-4-(hydroxymethyl)-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-yl]-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S823-2475
3-fluoro-N-[(3S,4R)-4-(hydroxymethyl)-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-yl]-4-methoxybenzamide

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

S823-2475

Molecular Formula

C18H25FN2O4 (C18 H25 FN2 O4)

Compound Name

3-fluoro-N-[(3S,4R)-4-(hydroxymethyl)-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-yl]-4-methoxybenzamide

IUPAC name

3-fluoro-N-[(3S4R)-4-(hydroxymethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-4-methoxybenzamide

SMILES

COc(ccc(C(N[C@@H](C1)[C@@H](CO)CN1C1CCOCC1)=O)c1)c1F

InChI

InChI=1S/C18H25FN2O4/c1-24-17-3-2-12(8-15(17)19)18(23)20-16-10-21(9-13(16)11-22)14-4-6-25-7-5-14/h2-3,8,13-14,16,22H,4-7,9-11H2,1H3,(H,20,23)/t13-,16+/m1/s1

InChI Key

OAGSSJHLEXPMDC-CJNGLKHVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.787

Distribution Coefficient, logD

-1.823

Water Solubility, LogSw

-1.94

Polar Surface Area

60.747

Acid Dissociation Constant (pKa)

13.58

Base Dissociation Constant (pKb)

10.01

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

61.11

S823-2475 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 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

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S823-2475 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S823-2475?
Check Price and Availability of S823-2475, 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 S823-2475 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S823-2475
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S823-2475
  • 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 S823-2475 available by request