L859-0216 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl}acetamide

L859-0216 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl}acetamide
L859-0216 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L859-0216
N-(2H-1,3-benzodioxol-5-yl)-2-{3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl}acetamide

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

L859-0216

Molecular Formula

C26H18ClN5O5 (C26 H18 ClN5 O5)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-{3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl}acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-{3-[3-(4-chlorophenyl)-124-oxadiazol-5-yl]-7-methyl-4-oxo-14-dihydro-18-naphthyridin-1-yl}acetamide

SMILES

Cc(cc1)nc(N(CC(Nc(cc2)cc3c2OCO3)=O)C=C2c3nc(-c(cc4)ccc4Cl)no3)c1C2=O

InChI

InChI=1S/C26H18ClN5O5/c1-14-2-8-18-23(34)19(26-30-24(31-37-26)15-3-5-16(27)6-4-15)11-32(25(18)28-14)12-22(33)29-17-7-9-20-21(10-17)36-13-35-20/h2-11H,12-13H2,1H3,(H,29,33)

InChI Key

URPDHUDTEYLZJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27481277

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.91

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.581

Distribution Coefficient, logD

5.581

Water Solubility, LogSw

-5.89

Polar Surface Area

96.938

Acid Dissociation Constant (pKa)

11.49

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

L859-0216 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L859-0216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L859-0216?
Check Price and Availability of L859-0216, 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 L859-0216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L859-0216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L859-0216
  • 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 L859-0216 available by request