SC13-0048 Screening compound: N-(3-pyridylmethyl)-N-[1-(3-pyridylmethyl)-3-piperidyl]-1-cyclobutanecarboxamide

SC13-0048 Screening compound: N-(3-pyridylmethyl)-N-[1-(3-pyridylmethyl)-3-piperidyl]-1-cyclobutanecarboxamide
SC13-0048 Screening compound: N-(3-pyridylmethyl)-N-[1-(3-pyridylmethyl)-3-piperidyl]-1-cyclobutanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC13-0048
N-(3-pyridylmethyl)-N-[1-(3-pyridylmethyl)-3-piperidyl]-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

SC13-0048

Molecular Formula

C22H28N4O (C22 H28 N4 O)

Compound Name

N-(3-pyridylmethyl)-N-[1-(3-pyridylmethyl)-3-piperidyl]-1-cyclobutanecarboxamide

IUPAC name

N-[(pyridin-3-yl)methyl]-N-{1-[(pyridin-3-yl)methyl]piperidin-3-yl}cyclobutanecarboxamide

SMILES

O=C(C1CCC1)N(Cc1cnccc1)C1CN(Cc2cnccc2)CCC1

InChI

InChI=1S/C22H28N4O/c27-22(20-7-1-8-20)26(16-19-6-3-11-24-14-19)21-9-4-12-25(17-21)15-18-5-2-10-23-13-18/h2-3,5-6,10-11,13-14,20-21H,1,4,7-9,12,15-17H2/t21-/m0/s1

InChI Key

JOQXLXUTBXECCO-NRFANRHFSA-N

MDL Number (MFCD)

MFCD32255039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.871

Distribution Coefficient, logD

0.840

Water Solubility, LogSw

-0.55

Polar Surface Area

38.455

Acid Dissociation Constant (pKa)

23.62

Base Dissociation Constant (pKb)

6.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

SC13-0048 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SC13-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC13-0048?
Check Price and Availability of SC13-0048, 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 SC13-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC13-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC13-0048
  • 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 SC13-0048 available by request