S632-3846 Screening compound: 1-{4-[1-(1-methylcyclohexanecarbonyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one

S632-3846 Screening compound: 1-{4-[1-(1-methylcyclohexanecarbonyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
S632-3846 Screening compound: 1-{4-[1-(1-methylcyclohexanecarbonyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S632-3846
1-{4-[1-(1-methylcyclohexanecarbonyl)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

S632-3846

Molecular Formula

C19H32N2O2 (C19 H32 N2 O2)

Compound Name

1-{4-[1-(1-methylcyclohexanecarbonyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one

IUPAC name

1-{4-[1-(1-methylcyclohexanecarbonyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one

SMILES

CC1(CCCCC1)C(N(CC1)CC1C(CC1)CCN1C(C)=O)=O

InChI

InChI=1S/C19H32N2O2/c1-15(22)20-11-6-16(7-12-20)17-8-13-21(14-17)18(23)19(2)9-4-3-5-10-19/h16-17H,3-14H2,1-2H3/t17-/m1/s1

InChI Key

DLAYEVNQMIQYEN-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD31983796

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.678

Distribution Coefficient, logD

2.678

Water Solubility, LogSw

-2.49

Polar Surface Area

34.494

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

4.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

89.47

S632-3846 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S632-3846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S632-3846?
Check Price and Availability of S632-3846, 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 S632-3846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S632-3846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S632-3846
  • 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 S632-3846 available by request