SB95-0082 Screening compound: N'-(4-methoxyphenyl)-N-(2-piperidinoethyl)-N-(3-piperidyl)urea

SB95-0082 Screening compound: N'-(4-methoxyphenyl)-N-(2-piperidinoethyl)-N-(3-piperidyl)urea
SB95-0082 Screening compound: N'-(4-methoxyphenyl)-N-(2-piperidinoethyl)-N-(3-piperidyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound SB95-0082
N'-(4-methoxyphenyl)-N-(2-piperidinoethyl)-N-(3-piperidyl)urea

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

SB95-0082

Molecular Formula

C20H32N4O2 (C20 H32 N4 O2)

Compound Name

N'-(4-methoxyphenyl)-N-(2-piperidinoethyl)-N-(3-piperidyl)urea

IUPAC name

1-(4-methoxyphenyl)-3-[2-(piperidin-1-yl)ethyl]-3-(piperidin-3-yl)urea

SMILES

COc(cc1)ccc1NC(N(CCN1CCCCC1)C1CNCCC1)=O

InChI

InChI=1S/C20H32N4O2/c1-26-19-9-7-17(8-10-19)22-20(25)24(18-6-5-11-21-16-18)15-14-23-12-3-2-4-13-23/h7-10,18,21H,2-6,11-16H2,1H3,(H,22,25)/t18-/m0/s1

InChI Key

SCLHMVZWPGSTKL-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32250507

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

360.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.760

Distribution Coefficient, logD

-1.294

Water Solubility, LogSw

-2.00

Polar Surface Area

47.640

Acid Dissociation Constant (pKa)

14.15

Base Dissociation Constant (pKb)

10.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

SB95-0082 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with SB95-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB95-0082?
Check Price and Availability of SB95-0082, 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 SB95-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB95-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB95-0082
  • 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 SB95-0082 available by request