5312-0005 Screening compound: ethyl 4-(2,5-dioxo-1-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-amido)benzoate

5312-0005 Screening compound: ethyl 4-(2,5-dioxo-1-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-amido)benzoate
5312-0005 Screening compound: ethyl 4-(2,5-dioxo-1-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5312-0005
ethyl 4-(2,5-dioxo-1-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-amido)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

5312-0005

Molecular Formula

C25H22N2O5 (C25 H22 N2 O5)

Compound Name

ethyl 4-(2,5-dioxo-1-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-amido)benzoate

IUPAC name

ethyl 4-(25-dioxo-1-phenyl-125678-hexahydroquinoline-3-amido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(C1=CC(C(CCC2)=O)=C2N(c2ccccc2)C1=O)=O)=O

InChI

InChI=1S/C25H22N2O5/c1-2-32-25(31)16-11-13-17(14-12-16)26-23(29)20-15-19-21(9-6-10-22(19)28)27(24(20)30)18-7-4-3-5-8-18/h3-5,7-8,11-15H,2,6,9-10H2,1H3,(H,26,29)

InChI Key

MCJIPRUIXYJXBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04000024

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.368

Distribution Coefficient, logD

3.149

Water Solubility, LogSw

-3.72

Polar Surface Area

72.425

Acid Dissociation Constant (pKa)

7.58

Base Dissociation Constant (pKb)

-5.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

5312-0005 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5312-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5312-0005?
Check Price and Availability of 5312-0005, 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 5312-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5312-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5312-0005
  • 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 5312-0005 available by request