K844-0799 Screening compound: butyl 2-(4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)acetate

K844-0799 Screening compound: butyl 2-(4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)acetate
K844-0799 Screening compound: butyl 2-(4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound K844-0799
butyl 2-(4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)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

K844-0799

Molecular Formula

C15H17NO4 (C15 H17 NO4)

Compound Name

butyl 2-(4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)acetate

IUPAC name

butyl 2-(4-hydroxy-2-oxo-12-dihydroquinolin-3-yl)acetate

SMILES

CCCCOC(CC(C(Nc1c2cccc1)=O)=C2O)=O

InChI

InChI=1S/C15H17NO4/c1-2-3-8-20-13(17)9-11-14(18)10-6-4-5-7-12(10)16-15(11)19/h4-7H,2-3,8-9H2,1H3,(H2,16,18,19)

InChI Key

UEWCTIWISWJQKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00572660

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

275.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.168

Distribution Coefficient, logD

0.000

Water Solubility, LogSw

-3.07

Polar Surface Area

60.640

Acid Dissociation Constant (pKa)

5.24

Base Dissociation Constant (pKb)

-3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

K844-0799 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K844-0799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K844-0799?
Check Price and Availability of K844-0799, 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 K844-0799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K844-0799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K844-0799
  • 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 K844-0799 available by request