V003-0254 Screening compound: 6-(2H-1,3-benzodioxol-5-yl)-2-(2-ethylphenyl)-1,3-benzoxazole

V003-0254 Screening compound: 6-(2H-1,3-benzodioxol-5-yl)-2-(2-ethylphenyl)-1,3-benzoxazole
V003-0254 Screening compound: 6-(2H-1,3-benzodioxol-5-yl)-2-(2-ethylphenyl)-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-0254
6-(2H-1,3-benzodioxol-5-yl)-2-(2-ethylphenyl)-1,3-benzoxazole

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

V003-0254

Molecular Formula

C22H17NO3 (C22 H17 NO3)

Compound Name

6-(2H-1,3-benzodioxol-5-yl)-2-(2-ethylphenyl)-1,3-benzoxazole

IUPAC name

6-(2H-13-benzodioxol-5-yl)-2-(2-ethylphenyl)-13-benzoxazole

SMILES

CCc(cccc1)c1-c1nc(ccc(-c(cc2)cc3c2OCO3)c2)c2o1

InChI

InChI=1S/C22H17NO3/c1-2-14-5-3-4-6-17(14)22-23-18-9-7-15(11-20(18)26-22)16-8-10-19-21(12-16)25-13-24-19/h3-12H,2,13H2,1H3

InChI Key

AQSOMGMUECBUFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19951339

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.061

Distribution Coefficient, logD

6.061

Water Solubility, LogSw

-5.63

Polar Surface Area

33.893

Acid Dissociation Constant (pKa)

26.31

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

V003-0254 in Drug Discovery

Included in Screening Libraries

Bromodomain Modulators Library (5801 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V003-0254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-0254?
Check Price and Availability of V003-0254, 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 V003-0254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-0254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-0254
  • 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 V003-0254 available by request