S632-3927 Screening compound: 1-[3-(1-acetylpiperidin-4-yl)pyrrolidin-1-yl]-2-(benzyloxy)ethan-1-one

S632-3927 Screening compound: 1-[3-(1-acetylpiperidin-4-yl)pyrrolidin-1-yl]-2-(benzyloxy)ethan-1-one
S632-3927 Screening compound: 1-[3-(1-acetylpiperidin-4-yl)pyrrolidin-1-yl]-2-(benzyloxy)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S632-3927
1-[3-(1-acetylpiperidin-4-yl)pyrrolidin-1-yl]-2-(benzyloxy)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

S632-3927

Molecular Formula

C20H28N2O3 (C20 H28 N2 O3)

Compound Name

1-[3-(1-acetylpiperidin-4-yl)pyrrolidin-1-yl]-2-(benzyloxy)ethan-1-one

IUPAC name

1-[3-(1-acetylpiperidin-4-yl)pyrrolidin-1-yl]-2-(benzyloxy)ethan-1-one

SMILES

CC(N(CC1)CCC1C(CC1)CN1C(COCc1ccccc1)=O)=O

InChI

InChI=1S/C20H28N2O3/c1-16(23)21-10-7-18(8-11-21)19-9-12-22(13-19)20(24)15-25-14-17-5-3-2-4-6-17/h2-6,18-19H,7-15H2,1H3/t19-/m1/s1

InChI Key

PAWOJOBYBPNIGU-LJQANCHMSA-N

MDL Number (MFCD)

MFCD29015644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.757

Distribution Coefficient, logD

1.757

Water Solubility, LogSw

-1.66

Polar Surface Area

42.209

Acid Dissociation Constant (pKa)

20.42

Base Dissociation Constant (pKb)

4.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

S632-3927 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with S632-3927 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S632-3927?
Check Price and Availability of S632-3927, 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 S632-3927 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S632-3927
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S632-3927
  • 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 S632-3927 available by request