V003-5083 Screening compound: 2-(3-fluorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole

V003-5083 Screening compound: 2-(3-fluorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole
V003-5083 Screening compound: 2-(3-fluorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-5083
2-(3-fluorophenyl)-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

V003-5083

Molecular Formula

C20H11F4NO (C20 H11 F4 NO)

Compound Name

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

IUPAC name

2-(3-fluorophenyl)-6-[4-(trifluoromethyl)phenyl]-13-benzoxazole

SMILES

FC(c(cc1)ccc1-c(cc1)cc2c1nc(-c1cccc(F)c1)o2)(F)F

InChI

InChI=1S/C20H11F4NO/c21-16-3-1-2-14(10-16)19-25-17-9-6-13(11-18(17)26-19)12-4-7-15(8-5-12)20(22,23)24/h1-11H

InChI Key

XRFVNLVYRSTURM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19947665

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.31

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.426

Distribution Coefficient, logD

6.426

Water Solubility, LogSw

-6.56

Polar Surface Area

16.777

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

V003-5083 in Drug Discovery

Included in Screening Libraries

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

Bromodomain Modulators Library (5801 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V003-5083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-5083?
Check Price and Availability of V003-5083, 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 V003-5083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-5083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-5083
  • 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 V003-5083 available by request