4393-0204 Screening compound: (3E)-7-nitro-3-[2-oxo-2-(thiophen-2-yl)ethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one

4393-0204 Screening compound: (3E)-7-nitro-3-[2-oxo-2-(thiophen-2-yl)ethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
4393-0204 Screening compound: (3E)-7-nitro-3-[2-oxo-2-(thiophen-2-yl)ethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4393-0204
(3E)-7-nitro-3-[2-oxo-2-(thiophen-2-yl)ethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one

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

4393-0204

Molecular Formula

C14H8N2O5S (C14 H8 N2 O5 S)

Compound Name

(3E)-7-nitro-3-[2-oxo-2-(thiophen-2-yl)ethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one

IUPAC name

(3E)-7-nitro-3-[2-oxo-2-(thiophen-2-yl)ethylidene]-34-dihydro-2H-14-benzoxazin-2-one

SMILES

[O-][N+](c(cc1)cc(OC2=O)c1N/C2=C/C(c1cccs1)=O)=O

InChI

InChI=1S/C14H8N2O5S/c17-11(13-2-1-5-22-13)7-10-14(18)21-12-6-8(16(19)20)3-4-9(12)15-10/h1-7,15H

InChI Key

FIQOICBWHOUEEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02214279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.29

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.220

Distribution Coefficient, logD

3.081

Water Solubility, LogSw

-3.65

Polar Surface Area

79.795

Acid Dissociation Constant (pKa)

7.82

Base Dissociation Constant (pKb)

-2.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4393-0204 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4393-0204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4393-0204?
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What is the minimum amount of 4393-0204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4393-0204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4393-0204
  • 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 4393-0204 available by request