K844-1127 Screening compound: ethyl 4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydro-3-quinolinecarboxylate

K844-1127 Screening compound: ethyl 4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydro-3-quinolinecarboxylate
K844-1127 Screening compound: ethyl 4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydro-3-quinolinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K844-1127
ethyl 4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydro-3-quinolinecarboxylate

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

K844-1127

Molecular Formula

C12H15NO4 (C12 H15 NO4)

Compound Name

ethyl 4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydro-3-quinolinecarboxylate

IUPAC name

ethyl 4-hydroxy-2-oxo-125678-hexahydroquinoline-3-carboxylate

SMILES

CCOC(C(C(NC1=C2CCCC1)=O)=C2O)=O

InChI

InChI=1S/C12H15NO4/c1-2-17-12(16)9-10(14)7-5-3-4-6-8(7)13-11(9)15/h2-6H2,1H3,(H2,13,14,15)

InChI Key

LOGDXXVRFXBURG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02733140

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

237.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.273

Distribution Coefficient, logD

-1.281

Water Solubility, LogSw

-1.63

Polar Surface Area

60.912

Acid Dissociation Constant (pKa)

4.85

Base Dissociation Constant (pKb)

-3.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

K844-1127 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with K844-1127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K844-1127?
Check Price and Availability of K844-1127, 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 K844-1127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K844-1127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K844-1127
  • 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 K844-1127 available by request