E557-2362 Screening compound: 1-[(4-ACETYL-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-6-YL)SULFONYL]-N-(2,5-DIMETHYLPHENYL)PIPERIDINE-4-CARBOXAMIDE

E557-2362 Screening compound: 1-[(4-ACETYL-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-6-YL)SULFONYL]-N-(2,5-DIMETHYLPHENYL)PIPERIDINE-4-CARBOXAMIDE
E557-2362 Screening compound: 1-[(4-ACETYL-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-6-YL)SULFONYL]-N-(2,5-DIMETHYLPHENYL)PIPERIDINE-4-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound E557-2362
1-[(4-ACETYL-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-6-YL)SULFONYL]-N-(2,5-DIMETHYLPHENYL)PIPERIDINE-4-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

E557-2362

Molecular Formula

C24H29N3O5S (C24 H29 N3 O5 S)

Compound Name

1-[(4-ACETYL-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-6-YL)SULFONYL]-N-(2,5-DIMETHYLPHENYL)PIPERIDINE-4-CARBOXAMIDE

IUPAC name

n/a

SMILES

CC(N1c(cc(cc2)S(N(CC3)CCC3C(Nc3c(C)ccc(C)c3)=O)(=O)=O)c2OCC1)=O

InChI

InChI=1S/C24H29N3O5S/c1-16-4-5-17(2)21(14-16)25-24(29)19-8-10-26(11-9-19)33(30,31)20-6-7-23-22(15-20)27(18(3)28)12-13-32-23/h4-7,14-15,19H,8-13H2,1-3H3,(H,25,29)

InChI Key

OPLNEYAZLNWOKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14898489

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.507

Distribution Coefficient, logD

2.507

Water Solubility, LogSw

-2.90

Polar Surface Area

78.346

Acid Dissociation Constant (pKa)

12.02

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

E557-2362 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

PI3K-Targeted Library (17255 compounds)

Anti-HIV1 Library (19540 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
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E557-2362 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E557-2362?
Check Price and Availability of E557-2362, 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 E557-2362 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E557-2362
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E557-2362
  • 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 E557-2362 available by request