SB95-0387 Screening compound: N-[1-(isopropylsulfonyl)-3-piperidyl]-N-(2-piperidinoethyl)acetamide

SB95-0387 Screening compound: N-[1-(isopropylsulfonyl)-3-piperidyl]-N-(2-piperidinoethyl)acetamide
SB95-0387 Screening compound: N-[1-(isopropylsulfonyl)-3-piperidyl]-N-(2-piperidinoethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB95-0387
N-[1-(isopropylsulfonyl)-3-piperidyl]-N-(2-piperidinoethyl)acetamide

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

SB95-0387

Molecular Formula

C17H33N3O3S (C17 H33 N3 O3 S)

Compound Name

N-[1-(isopropylsulfonyl)-3-piperidyl]-N-(2-piperidinoethyl)acetamide

IUPAC name

N-[2-(piperidin-1-yl)ethyl]-N-[1-(propane-2-sulfonyl)piperidin-3-yl]acetamide

SMILES

CC(C)S(N(CCC1)CC1N(CCN1CCCCC1)C(C)=O)(=O)=O

InChI

InChI=1S/C17H33N3O3S/c1-15(2)24(22,23)19-11-7-8-17(14-19)20(16(3)21)13-12-18-9-5-4-6-10-18/h15,17H,4-14H2,1-3H3/t17-/m0/s1

InChI Key

SDPPDEDDXMZKAZ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32252464

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.081

Distribution Coefficient, logD

-0.281

Water Solubility, LogSw

-1.60

Polar Surface Area

51.847

Acid Dissociation Constant (pKa)

19.76

Base Dissociation Constant (pKb)

8.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

94.12

SB95-0387 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SB95-0387 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB95-0387?
Check Price and Availability of SB95-0387, 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 SB95-0387 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB95-0387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB95-0387
  • 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 SB95-0387 available by request