K836-0064 Screening compound: 4-(3-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-3-(piperidine-1-carbonyl)-1,4,5,6,7,8-hexahydroquinolin-5-one

K836-0064 Screening compound: 4-(3-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-3-(piperidine-1-carbonyl)-1,4,5,6,7,8-hexahydroquinolin-5-one
K836-0064 Screening compound: 4-(3-ethoxy-4-hydroxyphenyl)-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 K836-0064
4-(3-ethoxy-4-hydroxyphenyl)-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

K836-0064

Molecular Formula

C26H34N2O4 (C26 H34 N2 O4)

Compound Name

4-(3-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-3-(piperidine-1-carbonyl)-1,4,5,6,7,8-hexahydroquinolin-5-one

IUPAC name

4-(3-ethoxy-4-hydroxyphenyl)-277-trimethyl-3-(piperidine-1-carbonyl)-145678-hexahydroquinolin-5-one

SMILES

CCOc(cc(C1C(C(CC(C)(C)C2)=O)=C2NC(C)=C1C(N1CCCCC1)=O)cc1)c1O

InChI

InChI=1S/C26H34N2O4/c1-5-32-21-13-17(9-10-19(21)29)23-22(25(31)28-11-7-6-8-12-28)16(2)27-18-14-26(3,4)15-20(30)24(18)23/h9-10,13,23,27,29H,5-8,11-12,14-15H2,1-4H3/t23-/m0/s1

InChI Key

GAAHYTGLFSZEGM-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD04056811

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.542

Distribution Coefficient, logD

0.034

Water Solubility, LogSw

-3.36

Polar Surface Area

64.328

Acid Dissociation Constant (pKa)

3.89

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.80

K836-0064 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with K836-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K836-0064?
Check Price and Availability of K836-0064, 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 K836-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K836-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K836-0064
  • 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 K836-0064 available by request