K786-9343 Screening compound: 1-(ethanesulfonyl)-N-{3-[ethyl(3-methylphenyl)amino]propyl}piperidine-3-carboxamide

K786-9343 Screening compound: 1-(ethanesulfonyl)-N-{3-[ethyl(3-methylphenyl)amino]propyl}piperidine-3-carboxamide
K786-9343 Screening compound: 1-(ethanesulfonyl)-N-{3-[ethyl(3-methylphenyl)amino]propyl}piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-9343
1-(ethanesulfonyl)-N-{3-[ethyl(3-methylphenyl)amino]propyl}piperidine-3-carboxamide

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

K786-9343

Molecular Formula

C20H33N3O3S (C20 H33 N3 O3 S)

Compound Name

1-(ethanesulfonyl)-N-{3-[ethyl(3-methylphenyl)amino]propyl}piperidine-3-carboxamide

IUPAC name

1-(ethanesulfonyl)-N-{3-[ethyl(3-methylphenyl)amino]propyl}piperidine-3-carboxamide

SMILES

CCN(CCCNC(C(CCC1)CN1S(CC)(=O)=O)=O)c1cc(C)ccc1

InChI

InChI=1S/C20H33N3O3S/c1-4-22(19-11-6-9-17(3)15-19)13-8-12-21-20(24)18-10-7-14-23(16-18)27(25,26)5-2/h6,9,11,15,18H,4-5,7-8,10,12-14,16H2,1-3H3,(H,21,24)/t18-/m0/s1

InChI Key

TWMTXWNEIMSPJR-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15102280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.394

Distribution Coefficient, logD

2.362

Water Solubility, LogSw

-2.80

Polar Surface Area

59.293

Acid Dissociation Constant (pKa)

14.70

Base Dissociation Constant (pKb)

6.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

K786-9343 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K786-9343 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-9343?
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What is the minimum amount of K786-9343 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-9343
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-9343
  • 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 K786-9343 available by request