K836-0591 Screening compound: 2-methoxy-4-[2-methyl-3-(morpholine-4-carbonyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-4-yl]phenyl acetate

K836-0591 Screening compound: 2-methoxy-4-[2-methyl-3-(morpholine-4-carbonyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-4-yl]phenyl acetate
K836-0591 Screening compound: 2-methoxy-4-[2-methyl-3-(morpholine-4-carbonyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-4-yl]phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound K836-0591
2-methoxy-4-[2-methyl-3-(morpholine-4-carbonyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-4-yl]phenyl acetate

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

K836-0591

Molecular Formula

C24H28N2O6 (C24 H28 N2 O6)

Compound Name

2-methoxy-4-[2-methyl-3-(morpholine-4-carbonyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-4-yl]phenyl acetate

IUPAC name

2-methoxy-4-[2-methyl-3-(morpholine-4-carbonyl)-5-oxo-145678-hexahydroquinolin-4-yl]phenyl acetate

SMILES

CC(Oc(ccc(C1C(C(CCC2)=O)=C2NC(C)=C1C(N1CCOCC1)=O)c1)c1OC)=O

InChI

InChI=1S/C24H28N2O6/c1-14-21(24(29)26-9-11-31-12-10-26)22(23-17(25-14)5-4-6-18(23)28)16-7-8-19(32-15(2)27)20(13-16)30-3/h7-8,13,22,25H,4-6,9-12H2,1-3H3/t22-/m0/s1

InChI Key

WSZNBFUYUJICLM-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD03998406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.589

Distribution Coefficient, logD

-1.527

Water Solubility, LogSw

-2.09

Polar Surface Area

76.946

Acid Dissociation Constant (pKa)

4.28

Base Dissociation Constant (pKb)

-1.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

K836-0591 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with K836-0591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K836-0591?
Check Price and Availability of K836-0591, 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 K836-0591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K836-0591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K836-0591
  • 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 K836-0591 available by request