E734-1148 Screening compound: methyl 2-(6-{[(4-fluorophenyl)methyl]sulfamoyl}-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetate

E734-1148 Screening compound: methyl 2-(6-{[(4-fluorophenyl)methyl]sulfamoyl}-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetate
E734-1148 Screening compound: methyl 2-(6-{[(4-fluorophenyl)methyl]sulfamoyl}-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound E734-1148
methyl 2-(6-{[(4-fluorophenyl)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

E734-1148

Molecular Formula

C18H17FN2O6S (C18 H17 FN2 O6 S)

Compound Name

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

IUPAC name

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

SMILES

COC(CN1c(cc(cc2)S(NCc(cc3)ccc3F)(=O)=O)c2OCC1=O)=O

InChI

InChI=1S/C18H17FN2O6S/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

ABIBUVLIPIGFCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14913560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.41

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

1.606

Distribution Coefficient, logD

1.605

Water Solubility, LogSw

-2.69

Polar Surface Area

86.677

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

-4.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

E734-1148 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with E734-1148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E734-1148?
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What is the minimum amount of E734-1148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E734-1148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E734-1148
  • 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 E734-1148 available by request