E999-1174 Screening compound: 2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

E999-1174 Screening compound: 2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
E999-1174 Screening compound: 2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E999-1174
2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-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

E999-1174

Molecular Formula

C26H20ClN3O5 (C26 H20 ClN3 O5)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)nc(N(CC(Nc(cc2)cc3c2OCCO3)=O)C=C2C(c3cccc(Cl)c3)=O)c1C2=O

InChI

InChI=1S/C26H20ClN3O5/c1-15-5-7-19-25(33)20(24(32)16-3-2-4-17(27)11-16)13-30(26(19)28-15)14-23(31)29-18-6-8-21-22(12-18)35-10-9-34-21/h2-8,11-13H,9-10,14H2,1H3,(H,29,31)

InChI Key

ZEUSPAWIHWZODL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14937292

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.91

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.160

Distribution Coefficient, logD

4.159

Water Solubility, LogSw

-4.50

Polar Surface Area

77.707

Acid Dissociation Constant (pKa)

11.49

Base Dissociation Constant (pKb)

2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

E999-1174 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 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
  • 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 E999-1174 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E999-1174?
Check Price and Availability of E999-1174, 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 E999-1174 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E999-1174
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E999-1174
  • 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 E999-1174 available by request