V016-8784 Screening compound: 3-[6-(1,3-BENZODIOXOL-5-YL)-1,3-BENZOXAZOL-2-YL]-5-METHOXYPHENYL METHYL ETHER

V016-8784 Screening compound: 3-[6-(1,3-BENZODIOXOL-5-YL)-1,3-BENZOXAZOL-2-YL]-5-METHOXYPHENYL METHYL ETHER
V016-8784 Screening compound: 3-[6-(1,3-BENZODIOXOL-5-YL)-1,3-BENZOXAZOL-2-YL]-5-METHOXYPHENYL METHYL ETHER alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-8784
3-[6-(1,3-BENZODIOXOL-5-YL)-1,3-BENZOXAZOL-2-YL]-5-METHOXYPHENYL METHYL ETHER

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

V016-8784

Molecular Formula

C22H17NO5 (C22 H17 NO5)

Compound Name

3-[6-(1,3-BENZODIOXOL-5-YL)-1,3-BENZOXAZOL-2-YL]-5-METHOXYPHENYL METHYL ETHER

IUPAC name

n/a

SMILES

COc1cc(-c2nc(ccc(-c(cc3)cc4c3OCO4)c3)c3o2)cc(OC)c1

InChI

InChI=1S/C22H17NO5/c1-24-16-7-15(8-17(11-16)25-2)22-23-18-5-3-13(9-20(18)28-22)14-4-6-19-21(10-14)27-12-26-19/h3-11H,12H2,1-2H3

InChI Key

FOAHGVFROVCERV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19951076

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.439

Distribution Coefficient, logD

5.439

Water Solubility, LogSw

-5.55

Polar Surface Area

48.980

Acid Dissociation Constant (pKa)

32.86

Base Dissociation Constant (pKb)

2.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

V016-8784 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Bromodomain Modulators Library (5801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with V016-8784 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-8784?
Check Price and Availability of V016-8784, 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 V016-8784 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-8784
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-8784
  • 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 V016-8784 available by request