E999-0934 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]acetamide

E999-0934 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]acetamide
E999-0934 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E999-0934
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(3-methoxybenzoyl)-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

E999-0934

Molecular Formula

C27H23N3O6 (C27 H23 N3 O6)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]acetamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-14-dihydro-18-naphthyridin-1-yl]acetamide

SMILES

Cc(cc1)nc(N(CC(Nc(cc2)cc3c2OCCO3)=O)C=C2C(c3cc(OC)ccc3)=O)c1C2=O

InChI

InChI=1S/C27H23N3O6/c1-16-6-8-20-26(33)21(25(32)17-4-3-5-19(12-17)34-2)14-30(27(20)28-16)15-24(31)29-18-7-9-22-23(13-18)36-11-10-35-22/h3-9,12-14H,10-11,15H2,1-2H3,(H,29,31)

InChI Key

YLRINMPREHWUJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14937209

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.559

Distribution Coefficient, logD

3.559

Water Solubility, LogSw

-3.79

Polar Surface Area

85.251

Acid Dissociation Constant (pKa)

11.49

Base Dissociation Constant (pKb)

2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

E999-0934 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 E999-0934 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E999-0934?
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What is the minimum amount of E999-0934 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E999-0934
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E999-0934
  • 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 E999-0934 available by request