S632-3281 Screening compound: 4-[1-(4-ethylbenzoyl)pyrrolidin-3-yl]-1-methylpiperidine

S632-3281 Screening compound: 4-[1-(4-ethylbenzoyl)pyrrolidin-3-yl]-1-methylpiperidine
S632-3281 Screening compound: 4-[1-(4-ethylbenzoyl)pyrrolidin-3-yl]-1-methylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S632-3281
4-[1-(4-ethylbenzoyl)pyrrolidin-3-yl]-1-methylpiperidine

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

S632-3281

Molecular Formula

C19H28N2O (C19 H28 N2 O)

Compound Name

4-[1-(4-ethylbenzoyl)pyrrolidin-3-yl]-1-methylpiperidine

IUPAC name

4-[1-(4-ethylbenzoyl)pyrrolidin-3-yl]-1-methylpiperidine

SMILES

CCc(cc1)ccc1C(N(CC1)CC1C1CCN(C)CC1)=O

InChI

InChI=1S/C19H28N2O/c1-3-15-4-6-17(7-5-15)19(22)21-13-10-18(14-21)16-8-11-20(2)12-9-16/h4-7,16,18H,3,8-14H2,1-2H3/t18-/m1/s1

InChI Key

FGRKKTKFJFKTDO-GOSISDBHSA-N

MDL Number (MFCD)

MFCD29012935

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.769

Distribution Coefficient, logD

1.263

Water Solubility, LogSw

-2.68

Polar Surface Area

20.583

Acid Dissociation Constant (pKa)

25.94

Base Dissociation Constant (pKb)

8.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.20

S632-3281 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with S632-3281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S632-3281?
Check Price and Availability of S632-3281, 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 S632-3281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S632-3281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S632-3281
  • 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 S632-3281 available by request