E746-0436 Screening compound: N-(3-chlorophenyl)-2-[3-oxo-6-(phenylsulfamoyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

E746-0436 Screening compound: N-(3-chlorophenyl)-2-[3-oxo-6-(phenylsulfamoyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide
E746-0436 Screening compound: N-(3-chlorophenyl)-2-[3-oxo-6-(phenylsulfamoyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E746-0436
N-(3-chlorophenyl)-2-[3-oxo-6-(phenylsulfamoyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

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

E746-0436

Molecular Formula

C22H18ClN3O5S (C22 H18 ClN3 O5 S)

Compound Name

N-(3-chlorophenyl)-2-[3-oxo-6-(phenylsulfamoyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

IUPAC name

N-(3-chlorophenyl)-2-[3-oxo-6-(phenylsulfamoyl)-34-dihydro-2H-14-benzoxazin-4-yl]acetamide

SMILES

O=C(CN1c(cc(cc2)S(Nc3ccccc3)(=O)=O)c2OCC1=O)Nc1cccc(Cl)c1

InChI

InChI=1S/C22H18ClN3O5S/c23-15-5-4-8-17(11-15)24-21(27)13-26-19-12-18(9-10-20(19)31-14-22(26)28)32(29,30)25-16-6-2-1-3-7-16/h1-12,25H,13-14H2,(H,24,27)

InChI Key

PWRPTIYKKXODBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14914863

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.92

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.719

Distribution Coefficient, logD

3.717

Water Solubility, LogSw

-4.16

Polar Surface Area

87.867

Acid Dissociation Constant (pKa)

9.64

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

E746-0436 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

References: we are preparing a list of scientific research reports with E746-0436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E746-0436?
Check Price and Availability of E746-0436, 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 E746-0436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E746-0436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E746-0436
  • 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 E746-0436 available by request