V031-1172 Screening compound: 2-(2H-1,3-benzodioxol-4-yl)-5-methyl-1,3-benzoxazole

V031-1172 Screening compound: 2-(2H-1,3-benzodioxol-4-yl)-5-methyl-1,3-benzoxazole
V031-1172 Screening compound: 2-(2H-1,3-benzodioxol-4-yl)-5-methyl-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-1172
2-(2H-1,3-benzodioxol-4-yl)-5-methyl-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

V031-1172

Molecular Formula

C15H11NO3 (C15 H11 NO3)

Compound Name

2-(2H-1,3-benzodioxol-4-yl)-5-methyl-1,3-benzoxazole

IUPAC name

2-(2H-13-benzodioxol-4-yl)-5-methyl-13-benzoxazole

SMILES

Cc(cc1)cc2c1oc(-c1c3OCOc3ccc1)n2

InChI

InChI=1S/C15H11NO3/c1-9-5-6-12-11(7-9)16-15(19-12)10-3-2-4-13-14(10)18-8-17-13/h2-7H,8H2,1H3

InChI Key

ZACKYDKASLTZOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19951149

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

253.26

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

3.731

Distribution Coefficient, logD

3.731

Water Solubility, LogSw

-3.95

Polar Surface Area

33.848

Acid Dissociation Constant (pKa)

27.59

Base Dissociation Constant (pKb)

0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

V031-1172 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V031-1172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-1172?
Check Price and Availability of V031-1172, 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 V031-1172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-1172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-1172
  • 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 V031-1172 available by request