8005-5903 Screening compound: 5-(1,3-benzodioxol-5-yl)-4-iodo-3-methylisoxazole

8005-5903 Screening compound: 5-(1,3-benzodioxol-5-yl)-4-iodo-3-methylisoxazole
8005-5903 Screening compound: 5-(1,3-benzodioxol-5-yl)-4-iodo-3-methylisoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-5903
5-(1,3-benzodioxol-5-yl)-4-iodo-3-methylisoxazole

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

8005-5903

Molecular Formula

C11H8INO3 (C11 H8 INO3)

Compound Name

5-(1,3-benzodioxol-5-yl)-4-iodo-3-methylisoxazole

IUPAC name

5-(2H-13-benzodioxol-5-yl)-4-iodo-3-methyl-12-oxazole

SMILES

Cc1noc(-c(cc2)cc3c2OCO3)c1I

InChI

InChI=1S/C11H8INO3/c1-6-10(12)11(16-13-6)7-2-3-8-9(4-7)15-5-14-8/h2-4H,5H2,1H3

InChI Key

HFPICHVSRMXILZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00820678

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.09

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.055

Distribution Coefficient, logD

3.055

Water Solubility, LogSw

-3.07

Polar Surface Area

39.699

Acid Dissociation Constant (pKa)

32.12

Base Dissociation Constant (pKb)

-3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

8005-5903 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8005-5903 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-5903?
Check Price and Availability of 8005-5903, 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 8005-5903 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-5903
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-5903
  • 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 8005-5903 available by request