E204-0190 Screening compound: 4-acetyl-N-(2,5-diethoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

E204-0190 Screening compound: 4-acetyl-N-(2,5-diethoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
E204-0190 Screening compound: 4-acetyl-N-(2,5-diethoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E204-0190
4-acetyl-N-(2,5-diethoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

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

E204-0190

Molecular Formula

C20H24N2O6S (C20 H24 N2 O6 S)

Compound Name

4-acetyl-N-(2,5-diethoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

IUPAC name

4-acetyl-N-(25-diethoxyphenyl)-34-dihydro-2H-14-benzoxazine-6-sulfonamide

SMILES

CCOc(cc1)cc(NS(c(cc2)cc3c2OCCN3C(C)=O)(=O)=O)c1OCC

InChI

InChI=1S/C20H24N2O6S/c1-4-26-15-6-8-19(27-5-2)17(12-15)21-29(24,25)16-7-9-20-18(13-16)22(14(3)23)10-11-28-20/h6-9,12-13,21H,4-5,10-11H2,1-3H3

InChI Key

TVZJVRWCPREVHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14845835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.921

Distribution Coefficient, logD

2.531

Water Solubility, LogSw

-3.58

Polar Surface Area

78.528

Acid Dissociation Constant (pKa)

7.24

Base Dissociation Constant (pKb)

-2.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

E204-0190 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E204-0190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E204-0190?
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What is the minimum amount of E204-0190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E204-0190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E204-0190
  • 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 E204-0190 available by request