E999-0217 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(4-methoxybenzoyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]acetamide

E999-0217 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(4-methoxybenzoyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]acetamide
E999-0217 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(4-methoxybenzoyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E999-0217
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(4-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

E999-0217

Molecular Formula

C29H29N3O6 (C29 H29 N3 O6)

Compound Name

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

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-2-[3-(4-methoxybenzoyl)-7-methyl-4-oxo-14-dihydro-18-naphthyridin-1-yl]acetamide

SMILES

Cc(cc1)nc(N(CC(NCCc(cc2)cc(OC)c2OC)=O)C=C2C(c(cc3)ccc3OC)=O)c1C2=O

InChI

InChI=1S/C29H29N3O6/c1-18-5-11-22-28(35)23(27(34)20-7-9-21(36-2)10-8-20)16-32(29(22)31-18)17-26(33)30-14-13-19-6-12-24(37-3)25(15-19)38-4/h5-12,15-16H,13-14,17H2,1-4H3,(H,30,33)

InChI Key

GEZCYKXWLBYPQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14937028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.324

Distribution Coefficient, logD

3.324

Water Solubility, LogSw

-3.62

Polar Surface Area

85.852

Acid Dissociation Constant (pKa)

14.66

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

E999-0217 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 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 E999-0217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E999-0217?
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What is the minimum amount of E999-0217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E999-0217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E999-0217
  • 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 E999-0217 available by request