E734-1056 Screening compound: methyl 2-(6-{[(4-chlorophenyl)methyl]sulfamoyl}-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetate

E734-1056 Screening compound: methyl 2-(6-{[(4-chlorophenyl)methyl]sulfamoyl}-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetate
E734-1056 Screening compound: methyl 2-(6-{[(4-chlorophenyl)methyl]sulfamoyl}-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound E734-1056
methyl 2-(6-{[(4-chlorophenyl)methyl]sulfamoyl}-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetate

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

E734-1056

Molecular Formula

C18H17ClN2O6S (C18 H17 ClN2 O6 S)

Compound Name

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

IUPAC name

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

SMILES

COC(CN1c(cc(cc2)S(NCc(cc3)ccc3Cl)(=O)=O)c2OCC1=O)=O

InChI

InChI=1S/C18H17ClN2O6S/c1-26-18(23)10-21-15-8-14(6-7-16(15)27-11-17(21)22)28(24,25)20-9-12-2-4-13(19)5-3-12/h2-8,20H,9-11H2,1H3

InChI Key

WBTXQDLFRHIKAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14913555

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.86

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.171

Distribution Coefficient, logD

2.171

Water Solubility, LogSw

-3.22

Polar Surface Area

86.677

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

-4.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

E734-1056 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E734-1056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E734-1056?
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What is the minimum amount of E734-1056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E734-1056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E734-1056
  • 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 E734-1056 available by request