5312-0036 Screening compound: N-(2-METHOXYPHENYL)-7,7-DIMETHYL-1-(4-METHYLPHENYL)-2,5-DIOXO-1,2,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDE

5312-0036 Screening compound: N-(2-METHOXYPHENYL)-7,7-DIMETHYL-1-(4-METHYLPHENYL)-2,5-DIOXO-1,2,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDE
5312-0036 Screening compound: N-(2-METHOXYPHENYL)-7,7-DIMETHYL-1-(4-METHYLPHENYL)-2,5-DIOXO-1,2,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound 5312-0036
N-(2-METHOXYPHENYL)-7,7-DIMETHYL-1-(4-METHYLPHENYL)-2,5-DIOXO-1,2,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDE

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

5312-0036

Molecular Formula

C26H26N2O4 (C26 H26 N2 O4)

Compound Name

N-(2-METHOXYPHENYL)-7,7-DIMETHYL-1-(4-METHYLPHENYL)-2,5-DIOXO-1,2,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDE

IUPAC name

n/a

SMILES

CC(C)(C1)CC(N(c2ccc(C)cc2)C(C(C(Nc(cccc2)c2OC)=O)=C2)=O)=C2C1=O

InChI

InChI=1S/C26H26N2O4/c1-16-9-11-17(12-10-16)28-21-14-26(2,3)15-22(29)18(21)13-19(25(28)31)24(30)27-20-7-5-6-8-23(20)32-4/h5-13H,14-15H2,1-4H3,(H,27,30)

InChI Key

CDHKBIPNPWBEMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04138383

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.888

Distribution Coefficient, logD

3.750

Water Solubility, LogSw

-4.23

Polar Surface Area

58.604

Acid Dissociation Constant (pKa)

7.83

Base Dissociation Constant (pKb)

-3.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

5312-0036 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

C-Met Library (15277 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
  • 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 5312-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5312-0036?
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What is the minimum amount of 5312-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5312-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5312-0036
  • 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 5312-0036 available by request