SC13-0580 Screening compound: N-[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]-N-[(pyridin-3-yl)methyl]methanesulfonamide

SC13-0580 Screening compound: N-[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]-N-[(pyridin-3-yl)methyl]methanesulfonamide
SC13-0580 Screening compound: N-[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]-N-[(pyridin-3-yl)methyl]methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC13-0580
N-[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]-N-[(pyridin-3-yl)methyl]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

SC13-0580

Molecular Formula

C22H27N3O3S (C22 H27 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CS(N(Cc1cnccc1)C(CCC1)CN1C(C1(CC1)c1ccccc1)=O)(=O)=O

InChI

InChI=1S/C22H27N3O3S/c1-29(27,28)25(16-18-7-5-13-23-15-18)20-10-6-14-24(17-20)21(26)22(11-12-22)19-8-3-2-4-9-19/h2-5,7-9,13,15,20H,6,10-12,14,16-17H2,1H3/t20-/m0/s1

InChI Key

NXFMEKDNKCJSMP-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD32255861

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.693

Distribution Coefficient, logD

1.693

Water Solubility, LogSw

-1.72

Polar Surface Area

57.548

Acid Dissociation Constant (pKa)

21.04

Base Dissociation Constant (pKb)

3.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.46

SC13-0580 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SC13-0580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC13-0580?
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What is the minimum amount of SC13-0580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC13-0580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC13-0580
  • 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 SC13-0580 available by request