0611-0108 Screening compound: 2-(thiophen-2-yl)-4H-3,1-benzoxazin-4-one

0611-0108 Screening compound: 2-(thiophen-2-yl)-4H-3,1-benzoxazin-4-one
0611-0108 Screening compound: 2-(thiophen-2-yl)-4H-3,1-benzoxazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0611-0108
2-(thiophen-2-yl)-4H-3,1-benzoxazin-4-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

0611-0108

Molecular Formula

C12H7NO2S (C12 H7 NO2 S)

Compound Name

2-(thiophen-2-yl)-4H-3,1-benzoxazin-4-one

IUPAC name

2-(thiophen-2-yl)-4H-31-benzoxazin-4-one

SMILES

O=C1OC(c2cccs2)=Nc2c1cccc2

InChI

InChI=1S/C12H7NO2S/c14-12-8-4-1-2-5-9(8)13-11(15-12)10-6-3-7-16-10/h1-7H

InChI Key

VGHJEBXWEGFRGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00116094

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

229.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.523

Distribution Coefficient, logD

2.523

Water Solubility, LogSw

-2.98

Polar Surface Area

31.204

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0611-0108 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Fragments Library (11262 compounds)

Frequent Hitters Library (7624 compounds)

Human Proteases Annotated Library (2868 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 0611-0108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0611-0108?
Check Price and Availability of 0611-0108, 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 0611-0108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0611-0108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0611-0108
  • 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 0611-0108 available by request