E589-0224 Screening compound: 4-[(4-ACETYL-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-6-SULFONAMIDO)METHYL]-N-(5-METHYLPYRIDIN-2-YL)CYCLOHEXANE-1-CARBOXAMIDE

E589-0224 Screening compound: 4-[(4-ACETYL-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-6-SULFONAMIDO)METHYL]-N-(5-METHYLPYRIDIN-2-YL)CYCLOHEXANE-1-CARBOXAMIDE
E589-0224 Screening compound: 4-[(4-ACETYL-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-6-SULFONAMIDO)METHYL]-N-(5-METHYLPYRIDIN-2-YL)CYCLOHEXANE-1-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound E589-0224
4-[(4-ACETYL-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-6-SULFONAMIDO)METHYL]-N-(5-METHYLPYRIDIN-2-YL)CYCLOHEXANE-1-CARBOXAMIDE

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

E589-0224

Molecular Formula

C24H30N4O5S (C24 H30 N4 O5 S)

Compound Name

4-[(4-ACETYL-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-6-SULFONAMIDO)METHYL]-N-(5-METHYLPYRIDIN-2-YL)CYCLOHEXANE-1-CARBOXAMIDE

IUPAC name

n/a

SMILES

CC(N1c(cc(cc2)S(NCC(CC3)CCC3C(Nc3ncc(C)cc3)=O)(=O)=O)c2OCC1)=O

InChI

InChI=1S/C24H30N4O5S/c1-16-3-10-23(25-14-16)27-24(30)19-6-4-18(5-7-19)15-26-34(31,32)20-8-9-22-21(13-20)28(17(2)29)11-12-33-22/h3,8-10,13-14,18-19,26H,4-7,11-12,15H2,1-2H3,(H,25,27,30)

InChI Key

PJYPJFKBZLEFGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14900226

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.479

Distribution Coefficient, logD

3.477

Water Solubility, LogSw

-3.68

Polar Surface Area

98.988

Acid Dissociation Constant (pKa)

10.05

Base Dissociation Constant (pKb)

4.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

E589-0224 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

GPCR Targeted Library (31838 compounds)

PI3K-Targeted Library (17255 compounds)

Protein Kinases Inhibitors Library (36801 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
  • Cardiovascular
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Proteases
  • GPCR
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E589-0224 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E589-0224?
Check Price and Availability of E589-0224, 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 E589-0224 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E589-0224
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E589-0224
  • 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 E589-0224 available by request