S632-2782 Screening compound: 2-(4-chlorophenyl)-1-[4-(pyrrolidin-3-yl)piperidin-1-yl]ethan-1-one

S632-2782 Screening compound: 2-(4-chlorophenyl)-1-[4-(pyrrolidin-3-yl)piperidin-1-yl]ethan-1-one
S632-2782 Screening compound: 2-(4-chlorophenyl)-1-[4-(pyrrolidin-3-yl)piperidin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S632-2782
2-(4-chlorophenyl)-1-[4-(pyrrolidin-3-yl)piperidin-1-yl]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

S632-2782

Molecular Formula

C17H23ClN2O (C17 H23 ClN2 O)

Compound Name

2-(4-chlorophenyl)-1-[4-(pyrrolidin-3-yl)piperidin-1-yl]ethan-1-one

IUPAC name

2-(4-chlorophenyl)-1-[4-(pyrrolidin-3-yl)piperidin-1-yl]ethan-1-one

SMILES

O=C(Cc(cc1)ccc1Cl)N(CC1)CCC1C1CNCC1

InChI

InChI=1S/C17H23ClN2O/c18-16-3-1-13(2-4-16)11-17(21)20-9-6-14(7-10-20)15-5-8-19-12-15/h1-4,14-15,19H,5-12H2/t15-/m0/s1

InChI Key

COWJPRLWKQUJTD-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD29013956

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

306.84

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.523

Distribution Coefficient, logD

-0.124

Water Solubility, LogSw

-3.31

Polar Surface Area

28.538

Acid Dissociation Constant (pKa)

17.74

Base Dissociation Constant (pKb)

10.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.80

S632-2782 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Antibacterial Compounds Library (13827 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S632-2782 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S632-2782?
Check Price and Availability of S632-2782, 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 S632-2782 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S632-2782
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S632-2782
  • 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 S632-2782 available by request