SB95-0236 Screening compound: N-{1-[(1-methyl-1H-imidazol-4-yl)carbonyl]-3-piperidyl}-N-(2-piperidinoethyl)methanesulfonamide

SB95-0236 Screening compound: N-{1-[(1-methyl-1H-imidazol-4-yl)carbonyl]-3-piperidyl}-N-(2-piperidinoethyl)methanesulfonamide
SB95-0236 Screening compound: N-{1-[(1-methyl-1H-imidazol-4-yl)carbonyl]-3-piperidyl}-N-(2-piperidinoethyl)methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB95-0236
N-{1-[(1-methyl-1H-imidazol-4-yl)carbonyl]-3-piperidyl}-N-(2-piperidinoethyl)methanesulfonamide

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

SB95-0236

Molecular Formula

C18H31N5O3S (C18 H31 N5 O3 S)

Compound Name

N-{1-[(1-methyl-1H-imidazol-4-yl)carbonyl]-3-piperidyl}-N-(2-piperidinoethyl)methanesulfonamide

IUPAC name

N-[1-(1-methyl-1H-imidazole-4-carbonyl)piperidin-3-yl]-N-[2-(piperidin-1-yl)ethyl]methanesulfonamide

SMILES

Cn1cnc(C(N(CCC2)CC2N(CCN2CCCCC2)S(C)(=O)=O)=O)c1

InChI

InChI=1S/C18H31N5O3S/c1-20-14-17(19-15-20)18(24)22-10-6-7-16(13-22)23(27(2,25)26)12-11-21-8-4-3-5-9-21/h14-16H,3-13H2,1-2H3/t16-/m0/s1

InChI Key

YUTYHVGPXCKYNL-INIZCTEOSA-N

MDL Number (MFCD)

MFCD32249655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.109

Distribution Coefficient, logD

0.026

Water Solubility, LogSw

-1.41

Polar Surface Area

64.376

Acid Dissociation Constant (pKa)

24.79

Base Dissociation Constant (pKb)

6.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

77.78

SB95-0236 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 SB95-0236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB95-0236?
Check Price and Availability of SB95-0236, 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 SB95-0236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB95-0236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB95-0236
  • 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 SB95-0236 available by request