K869-0105 Screening compound: 1-ethyl-N-[4-(furan-2-amido)phenyl]-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide

K869-0105 Screening compound: 1-ethyl-N-[4-(furan-2-amido)phenyl]-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide
K869-0105 Screening compound: 1-ethyl-N-[4-(furan-2-amido)phenyl]-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K869-0105
1-ethyl-N-[4-(furan-2-amido)phenyl]-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide

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

K869-0105

Molecular Formula

C23H20N4O4 (C23 H20 N4 O4)

Compound Name

1-ethyl-N-[4-(furan-2-amido)phenyl]-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide

IUPAC name

1-ethyl-N-[4-(furan-2-amido)phenyl]-7-methyl-4-oxo-14-dihydro-18-naphthyridine-3-carboxamide

SMILES

CCN(C=C1C(Nc(cc2)ccc2NC(c2ccco2)=O)=O)c(nc(C)cc2)c2C1=O

InChI

InChI=1S/C23H20N4O4/c1-3-27-13-18(20(28)17-11-6-14(2)24-21(17)27)22(29)25-15-7-9-16(10-8-15)26-23(30)19-5-4-12-31-19/h4-13H,3H2,1-2H3,(H,25,29)(H,26,30)

InChI Key

AAQJARWXLCMGRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02939695

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.780

Distribution Coefficient, logD

3.779

Water Solubility, LogSw

-4.06

Polar Surface Area

80.025

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

K869-0105 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with K869-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K869-0105?
Check Price and Availability of K869-0105, 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 K869-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K869-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K869-0105
  • 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 K869-0105 available by request