E470-1327 Screening compound: 4-acetyl-N-(4-acetylphenyl)-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide

E470-1327 Screening compound: 4-acetyl-N-(4-acetylphenyl)-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
E470-1327 Screening compound: 4-acetyl-N-(4-acetylphenyl)-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E470-1327
4-acetyl-N-(4-acetylphenyl)-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-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

E470-1327

Molecular Formula

C19H20N2O5S (C19 H20 N2 O5 S)

Compound Name

4-acetyl-N-(4-acetylphenyl)-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide

IUPAC name

4-acetyl-N-(4-acetylphenyl)-6-methyl-34-dihydro-2H-14-benzoxazine-7-sulfonamide

SMILES

CC(c(cc1)ccc1NS(c(cc1OCC2)c(C)cc1N2C(C)=O)(=O)=O)=O

InChI

InChI=1S/C19H20N2O5S/c1-12-10-17-18(26-9-8-21(17)14(3)23)11-19(12)27(24,25)20-16-6-4-15(5-7-16)13(2)22/h4-7,10-11,20H,8-9H2,1-3H3

InChI Key

ULMHYVWQYSZEKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14855011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.155

Distribution Coefficient, logD

1.847

Water Solubility, LogSw

-2.73

Polar Surface Area

78.718

Acid Dissociation Constant (pKa)

7.39

Base Dissociation Constant (pKb)

-3.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

E470-1327 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 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

References: we are preparing a list of scientific research reports with E470-1327 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E470-1327?
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What is the minimum amount of E470-1327 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E470-1327
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E470-1327
  • 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 E470-1327 available by request