E245-0328 Screening compound: ethyl 3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamido)benzoate

E245-0328 Screening compound: ethyl 3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamido)benzoate
E245-0328 Screening compound: ethyl 3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E245-0328
ethyl 3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamido)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

E245-0328

Molecular Formula

C18H18N2O6S (C18 H18 N2 O6 S)

Compound Name

ethyl 3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamido)benzoate

IUPAC name

ethyl 3-(6-methyl-3-oxo-34-dihydro-2H-14-benzoxazine-7-sulfonamido)benzoate

SMILES

CCOC(c1cccc(NS(c(cc2OC3)c(C)cc2NC3=O)(=O)=O)c1)=O

InChI

InChI=1S/C18H18N2O6S/c1-3-25-18(22)12-5-4-6-13(8-12)20-27(23,24)16-9-15-14(7-11(16)2)19-17(21)10-26-15/h4-9,20H,3,10H2,1-2H3,(H,19,21)

InChI Key

BBXYLFBSWQMTPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14852508

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.749

Distribution Coefficient, logD

2.736

Water Solubility, LogSw

-3.15

Polar Surface Area

94.912

Acid Dissociation Constant (pKa)

8.91

Base Dissociation Constant (pKb)

-3.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

E245-0328 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

SH2 Library (10483 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
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E245-0328 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E245-0328?
Check Price and Availability of E245-0328, 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 E245-0328 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E245-0328
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E245-0328
  • 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 E245-0328 available by request