V010-4479 Screening compound: 2-(2-ethoxyphenyl)-6-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole

V010-4479 Screening compound: 2-(2-ethoxyphenyl)-6-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole
V010-4479 Screening compound: 2-(2-ethoxyphenyl)-6-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-4479
2-(2-ethoxyphenyl)-6-[4-(trifluoromethyl)phenyl]-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

V010-4479

Molecular Formula

C22H16F3NO2 (C22 H16 F3 NO2)

Compound Name

2-(2-ethoxyphenyl)-6-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole

IUPAC name

2-(2-ethoxyphenyl)-6-[4-(trifluoromethyl)phenyl]-13-benzoxazole

SMILES

CCOc(cccc1)c1-c1nc(ccc(-c2ccc(C(F)(F)F)cc2)c2)c2o1

InChI

InChI=1S/C22H16F3NO2/c1-2-27-19-6-4-3-5-17(19)21-26-18-12-9-15(13-20(18)28-21)14-7-10-16(11-8-14)22(23,24)25/h3-13H,2H2,1H3

InChI Key

LJCCYHKFZKZYNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19947632

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.563

Distribution Coefficient, logD

6.563

Water Solubility, LogSw

-5.95

Polar Surface Area

23.987

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

V010-4479 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Bromodomain Modulators Library (5801 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V010-4479 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-4479?
Check Price and Availability of V010-4479, 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 V010-4479 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-4479
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-4479
  • 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 V010-4479 available by request