C200-5788 Screening compound: 1-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-3-(4-methoxybenzoyl)-7-methyl-1,4-dihydro-1,8-naphthyridin-4-one

C200-5788 Screening compound: 1-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-3-(4-methoxybenzoyl)-7-methyl-1,4-dihydro-1,8-naphthyridin-4-one
C200-5788 Screening compound: 1-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-3-(4-methoxybenzoyl)-7-methyl-1,4-dihydro-1,8-naphthyridin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-5788
1-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-3-(4-methoxybenzoyl)-7-methyl-1,4-dihydro-1,8-naphthyridin-4-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

C200-5788

Molecular Formula

C26H20N2O6 (C26 H20 N2 O6)

Compound Name

1-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-3-(4-methoxybenzoyl)-7-methyl-1,4-dihydro-1,8-naphthyridin-4-one

IUPAC name

1-[2-(2H-13-benzodioxol-5-yl)-2-oxoethyl]-3-(4-methoxybenzoyl)-7-methyl-14-dihydro-18-naphthyridin-4-one

SMILES

Cc(cc1)nc(N(CC(c(cc2)cc3c2OCO3)=O)C=C2C(c(cc3)ccc3OC)=O)c1C2=O

InChI

InChI=1S/C26H20N2O6/c1-15-3-9-19-25(31)20(24(30)16-4-7-18(32-2)8-5-16)12-28(26(19)27-15)13-21(29)17-6-10-22-23(11-17)34-14-33-22/h3-12H,13-14H2,1-2H3

InChI Key

UCCHEXAPZREWDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26961704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.512

Distribution Coefficient, logD

4.512

Water Solubility, LogSw

-4.44

Polar Surface Area

76.641

Acid Dissociation Constant (pKa)

18.70

Base Dissociation Constant (pKb)

-5.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

C200-5788 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C200-5788 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-5788?
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What is the minimum amount of C200-5788 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-5788
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-5788
  • 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 C200-5788 available by request