E204-0105 Screening compound: ethyl 4-(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamido)benzoate

E204-0105 Screening compound: ethyl 4-(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamido)benzoate
E204-0105 Screening compound: ethyl 4-(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E204-0105
ethyl 4-(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-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

E204-0105

Molecular Formula

C19H20N2O6S (C19 H20 N2 O6 S)

Compound Name

ethyl 4-(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamido)benzoate

IUPAC name

ethyl 4-(4-acetyl-34-dihydro-2H-14-benzoxazine-6-sulfonamido)benzoate

SMILES

CCOC(c(cc1)ccc1NS(c(cc1)cc2c1OCCN2C(C)=O)(=O)=O)=O

InChI

InChI=1S/C19H20N2O6S/c1-3-26-19(23)14-4-6-15(7-5-14)20-28(24,25)16-8-9-18-17(12-16)21(13(2)22)10-11-27-18/h4-9,12,20H,3,10-11H2,1-2H3

InChI Key

OZOUNUIYVKKDLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14845782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.892

Distribution Coefficient, logD

2.785

Water Solubility, LogSw

-3.55

Polar Surface Area

85.645

Acid Dissociation Constant (pKa)

7.95

Base Dissociation Constant (pKb)

-2.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

E204-0105 in Drug Discovery

Included in Screening Libraries

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

Integrin Receptors Targeted library (1715 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Cancer
  • Endocrine
Targets:
  • Others
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E204-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E204-0105?
Check Price and Availability of E204-0105, 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 E204-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E204-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E204-0105
  • 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 E204-0105 available by request