E999-1198 Screening compound: ethyl 2-{2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]acetamido}benzoate

E999-1198 Screening compound: ethyl 2-{2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]acetamido}benzoate
E999-1198 Screening compound: ethyl 2-{2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E999-1198
ethyl 2-{2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]acetamido}benzoate

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

E999-1198

Molecular Formula

C27H22ClN3O5 (C27 H22 ClN3 O5)

Compound Name

ethyl 2-{2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]acetamido}benzoate

IUPAC name

ethyl 2-{2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-14-dihydro-18-naphthyridin-1-yl]acetamido}benzoate

SMILES

CCOC(c(cccc1)c1NC(CN(C=C1C(c2cccc(Cl)c2)=O)c(nc(C)cc2)c2C1=O)=O)=O

InChI

InChI=1S/C27H22ClN3O5/c1-3-36-27(35)19-9-4-5-10-22(19)30-23(32)15-31-14-21(24(33)17-7-6-8-18(28)13-17)25(34)20-12-11-16(2)29-26(20)31/h4-14H,3,15H2,1-2H3,(H,30,32)

InChI Key

VMGQGQQYCMRRHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27095521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.94

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.455

Distribution Coefficient, logD

5.441

Water Solubility, LogSw

-5.79

Polar Surface Area

81.940

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

-2.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

E999-1198 in Drug Discovery

Included in Screening Libraries

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
  • 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 E999-1198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E999-1198?
Check Price and Availability of E999-1198, 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 E999-1198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E999-1198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E999-1198
  • 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 E999-1198 available by request