SB95-0031 Screening compound: 2,3-dimethoxy-N-(2-piperidinoethyl)-N-(3-piperidyl)benzamide

SB95-0031 Screening compound: 2,3-dimethoxy-N-(2-piperidinoethyl)-N-(3-piperidyl)benzamide
SB95-0031 Screening compound: 2,3-dimethoxy-N-(2-piperidinoethyl)-N-(3-piperidyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB95-0031
2,3-dimethoxy-N-(2-piperidinoethyl)-N-(3-piperidyl)benzamide

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

SB95-0031

Molecular Formula

C21H33N3O3 (C21 H33 N3 O3)

Compound Name

2,3-dimethoxy-N-(2-piperidinoethyl)-N-(3-piperidyl)benzamide

IUPAC name

23-dimethoxy-N-[2-(piperidin-1-yl)ethyl]-N-(piperidin-3-yl)benzamide

SMILES

COc1cccc(C(N(CCN2CCCCC2)C2CNCCC2)=O)c1OC

InChI

InChI=1S/C21H33N3O3/c1-26-19-10-6-9-18(20(19)27-2)21(25)24(17-8-7-11-22-16-17)15-14-23-12-4-3-5-13-23/h6,9-10,17,22H,3-5,7-8,11-16H2,1-2H3/t17-/m0/s1

InChI Key

RZUCFTXLSBVFSL-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32250360

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

375.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.515

Distribution Coefficient, logD

0.490

Water Solubility, LogSw

-2.11

Polar Surface Area

46.623

Acid Dissociation Constant (pKa)

26.82

Base Dissociation Constant (pKb)

8.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

SB95-0031 in Drug Discovery

Included in Screening Libraries

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 SB95-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB95-0031?
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What is the minimum amount of SB95-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB95-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB95-0031
  • 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 SB95-0031 available by request