SB95-0681 Screening compound: N-[1-(3-phenylpropyl)-3-piperidyl]-N-[2-(1-pyrrolidinyl)ethyl]-1-cyclobutanecarboxamide

SB95-0681 Screening compound: N-[1-(3-phenylpropyl)-3-piperidyl]-N-[2-(1-pyrrolidinyl)ethyl]-1-cyclobutanecarboxamide
SB95-0681 Screening compound: N-[1-(3-phenylpropyl)-3-piperidyl]-N-[2-(1-pyrrolidinyl)ethyl]-1-cyclobutanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB95-0681
N-[1-(3-phenylpropyl)-3-piperidyl]-N-[2-(1-pyrrolidinyl)ethyl]-1-cyclobutanecarboxamide

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

SB95-0681

Molecular Formula

C25H39N3O (C25 H39 N3 O)

Compound Name

N-[1-(3-phenylpropyl)-3-piperidyl]-N-[2-(1-pyrrolidinyl)ethyl]-1-cyclobutanecarboxamide

IUPAC name

N-[1-(3-phenylpropyl)piperidin-3-yl]-N-[2-(pyrrolidin-1-yl)ethyl]cyclobutanecarboxamide

SMILES

O=C(C1CCC1)N(CCN1CCCC1)C1CN(CCCc2ccccc2)CCC1

InChI

InChI=1S/C25H39N3O/c29-25(23-12-6-13-23)28(20-19-26-15-4-5-16-26)24-14-8-18-27(21-24)17-7-11-22-9-2-1-3-10-22/h1-3,9-10,23-24H,4-8,11-21H2/t24-/m0/s1

InChI Key

BMMTYCCMRVALJO-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD32252476

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.321

Distribution Coefficient, logD

1.366

Water Solubility, LogSw

-3.31

Polar Surface Area

23.725

Acid Dissociation Constant (pKa)

24.20

Base Dissociation Constant (pKb)

9.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

72.00

SB95-0681 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SB95-0681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB95-0681?
Check Price and Availability of SB95-0681, 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 SB95-0681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB95-0681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB95-0681
  • 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 SB95-0681 available by request