E746-0235 Screening compound: N-[(2-chlorophenyl)methyl]-2-{3-oxo-6-[(propan-2-yl)sulfamoyl]-3,4-dihydro-2H-1,4-benzoxazin-4-yl}acetamide

E746-0235 Screening compound: N-[(2-chlorophenyl)methyl]-2-{3-oxo-6-[(propan-2-yl)sulfamoyl]-3,4-dihydro-2H-1,4-benzoxazin-4-yl}acetamide
E746-0235 Screening compound: N-[(2-chlorophenyl)methyl]-2-{3-oxo-6-[(propan-2-yl)sulfamoyl]-3,4-dihydro-2H-1,4-benzoxazin-4-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E746-0235
N-[(2-chlorophenyl)methyl]-2-{3-oxo-6-[(propan-2-yl)sulfamoyl]-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

E746-0235

Molecular Formula

C20H22ClN3O5S (C20 H22 ClN3 O5 S)

Compound Name

N-[(2-chlorophenyl)methyl]-2-{3-oxo-6-[(propan-2-yl)sulfamoyl]-3,4-dihydro-2H-1,4-benzoxazin-4-yl}acetamide

IUPAC name

N-[(2-chlorophenyl)methyl]-2-{3-oxo-6-[(propan-2-yl)sulfamoyl]-34-dihydro-2H-14-benzoxazin-4-yl}acetamide

SMILES

CC(C)NS(c(cc1)cc(N2CC(NCc(cccc3)c3Cl)=O)c1OCC2=O)(=O)=O

InChI

InChI=1S/C20H22ClN3O5S/c1-13(2)23-30(27,28)15-7-8-18-17(9-15)24(20(26)12-29-18)11-19(25)22-10-14-5-3-4-6-16(14)21/h3-9,13,23H,10-12H2,1-2H3,(H,22,25)

InChI Key

ZOIRLSRUTQWJLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14914846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.93

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.686

Distribution Coefficient, logD

2.686

Water Solubility, LogSw

-3.33

Polar Surface Area

89.757

Acid Dissociation Constant (pKa)

11.34

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with E746-0235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E746-0235?
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What is the minimum amount of E746-0235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E746-0235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E746-0235
  • 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 E746-0235 available by request