SC13-0592 Screening compound: N-[1-(3-pyridylcarbonyl)-3-piperidyl]-N-(3-pyridylmethyl)methanesulfonamide

SC13-0592 Screening compound: N-[1-(3-pyridylcarbonyl)-3-piperidyl]-N-(3-pyridylmethyl)methanesulfonamide
SC13-0592 Screening compound: N-[1-(3-pyridylcarbonyl)-3-piperidyl]-N-(3-pyridylmethyl)methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC13-0592
N-[1-(3-pyridylcarbonyl)-3-piperidyl]-N-(3-pyridylmethyl)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

SC13-0592

Molecular Formula

C18H22N4O3S (C18 H22 N4 O3 S)

Compound Name

N-[1-(3-pyridylcarbonyl)-3-piperidyl]-N-(3-pyridylmethyl)methanesulfonamide

IUPAC name

N-[(pyridin-3-yl)methyl]-N-[1-(pyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide

SMILES

CS(N(Cc1cnccc1)C(CCC1)CN1C(c1cnccc1)=O)(=O)=O

InChI

InChI=1S/C18H22N4O3S/c1-26(24,25)22(13-15-5-2-8-19-11-15)17-7-4-10-21(14-17)18(23)16-6-3-9-20-12-16/h2-3,5-6,8-9,11-12,17H,4,7,10,13-14H2,1H3/t17-/m0/s1

InChI Key

LJJWBVIKVQXCCN-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32255980

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.093

Distribution Coefficient, logD

-0.093

Water Solubility, LogSw

-1.36

Polar Surface Area

66.815

Acid Dissociation Constant (pKa)

24.48

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.89

SC13-0592 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC13-0592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC13-0592?
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What is the minimum amount of SC13-0592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC13-0592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC13-0592
  • 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 SC13-0592 available by request