5930-0135 Screening compound: 6,7-DIMETHOXY-2-(THIOPHEN-2-YL)-4H-3,1-BENZOXAZIN-4-ONE

5930-0135 Screening compound: 6,7-DIMETHOXY-2-(THIOPHEN-2-YL)-4H-3,1-BENZOXAZIN-4-ONE
5930-0135 Screening compound: 6,7-DIMETHOXY-2-(THIOPHEN-2-YL)-4H-3,1-BENZOXAZIN-4-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 5930-0135
6,7-DIMETHOXY-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

5930-0135

Molecular Formula

C14H11NO4S (C14 H11 NO4 S)

Compound Name

6,7-DIMETHOXY-2-(THIOPHEN-2-YL)-4H-3,1-BENZOXAZIN-4-ONE

IUPAC name

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

SMILES

COc(c(OC)c1)cc2c1N=C(c1cccs1)OC2=O

InChI

InChI=1S/C14H11NO4S/c1-17-10-6-8-9(7-11(10)18-2)15-13(19-14(8)16)12-4-3-5-20-12/h3-7H,1-2H3

InChI Key

XMPVZWXWJBMOPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00834900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.520

Distribution Coefficient, logD

2.520

Water Solubility, LogSw

-2.95

Polar Surface Area

46.465

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

5930-0135 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

Fragments Library (11262 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Structure:
  • Fragments
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 5930-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5930-0135?
Check Price and Availability of 5930-0135, 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 5930-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5930-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5930-0135
  • 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 5930-0135 available by request