K836-0086 Screening compound: 4-[4-(dimethylamino)phenyl]-2,7,7-trimethyl-3-(piperidine-1-carbonyl)-1,4,5,6,7,8-hexahydroquinolin-5-one

K836-0086 Screening compound: 4-[4-(dimethylamino)phenyl]-2,7,7-trimethyl-3-(piperidine-1-carbonyl)-1,4,5,6,7,8-hexahydroquinolin-5-one
K836-0086 Screening compound: 4-[4-(dimethylamino)phenyl]-2,7,7-trimethyl-3-(piperidine-1-carbonyl)-1,4,5,6,7,8-hexahydroquinolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K836-0086
4-[4-(dimethylamino)phenyl]-2,7,7-trimethyl-3-(piperidine-1-carbonyl)-1,4,5,6,7,8-hexahydroquinolin-5-one

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

K836-0086

Molecular Formula

C26H35N3O2 (C26 H35 N3 O2)

Compound Name

4-[4-(dimethylamino)phenyl]-2,7,7-trimethyl-3-(piperidine-1-carbonyl)-1,4,5,6,7,8-hexahydroquinolin-5-one

IUPAC name

4-[4-(dimethylamino)phenyl]-277-trimethyl-3-(piperidine-1-carbonyl)-145678-hexahydroquinolin-5-one

SMILES

CC(C)(C1)CC(NC(C)=C(C2c(cc3)ccc3N(C)C)C(N3CCCCC3)=O)=C2C1=O

InChI

InChI=1S/C26H35N3O2/c1-17-22(25(31)29-13-7-6-8-14-29)23(18-9-11-19(12-10-18)28(4)5)24-20(27-17)15-26(2,3)16-21(24)30/h9-12,23,27H,6-8,13-16H2,1-5H3/t23-/m0/s1

InChI Key

CEKHGIBJWAYNJI-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD04000044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.875

Distribution Coefficient, logD

0.368

Water Solubility, LogSw

-4.02

Polar Surface Area

43.374

Acid Dissociation Constant (pKa)

3.89

Base Dissociation Constant (pKb)

8.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.80

K836-0086 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K836-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K836-0086?
Check Price and Availability of K836-0086, 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 K836-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K836-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K836-0086
  • 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 K836-0086 available by request