K836-0122 Screening compound: 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,5,6,7,8-hexahydroquinolin-5-one

K836-0122 Screening compound: 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,5,6,7,8-hexahydroquinolin-5-one
K836-0122 Screening compound: 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,5,6,7,8-hexahydroquinolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K836-0122
4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2,7,7-trimethyl-3-(morpholine-4-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

K836-0122

Molecular Formula

C24H29N3O7 (C24 H29 N3 O7)

Compound Name

4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,5,6,7,8-hexahydroquinolin-5-one

IUPAC name

4-(4-hydroxy-3-methoxy-5-nitrophenyl)-277-trimethyl-3-(morpholine-4-carbonyl)-145678-hexahydroquinolin-5-one

SMILES

CC(C)(C1)CC(NC(C)=C(C2c(cc3OC)cc([N+]([O-])=O)c3O)C(N3CCOCC3)=O)=C2C1=O

InChI

InChI=1S/C24H29N3O7/c1-13-19(23(30)26-5-7-34-8-6-26)20(21-15(25-13)11-24(2,3)12-17(21)28)14-9-16(27(31)32)22(29)18(10-14)33-4/h9-10,20,25,29H,5-8,11-12H2,1-4H3/t20-/m0/s1

InChI Key

XTMHZMFBMHMXRA-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03632490

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.216

Distribution Coefficient, logD

-1.291

Water Solubility, LogSw

-2.75

Polar Surface Area

104.668

Acid Dissociation Constant (pKa)

3.89

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

K836-0122 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K836-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K836-0122?
Check Price and Availability of K836-0122, 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 K836-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K836-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K836-0122
  • 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 K836-0122 available by request