V031-1319 Screening compound: 4-chloro-2-{6-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl}phenol

V031-1319 Screening compound: 4-chloro-2-{6-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl}phenol
V031-1319 Screening compound: 4-chloro-2-{6-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl}phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-1319
4-chloro-2-{6-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl}phenol

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

V031-1319

Molecular Formula

C20H11ClF3NO2 (C20 H11 ClF3 NO2)

Compound Name

4-chloro-2-{6-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl}phenol

IUPAC name

4-chloro-2-{6-[4-(trifluoromethyl)phenyl]-13-benzoxazol-2-yl}phenol

SMILES

Oc(ccc(Cl)c1)c1-c1nc(ccc(-c2ccc(C(F)(F)F)cc2)c2)c2o1

InChI

InChI=1S/C20H11ClF3NO2/c21-14-6-8-17(26)15(10-14)19-25-16-7-3-12(9-18(16)27-19)11-1-4-13(5-2-11)20(22,23)24/h1-10,26H

InChI Key

ZJNKKGBAUVVENZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19947664

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

389.76

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.227

Distribution Coefficient, logD

7.225

Water Solubility, LogSw

-6.54

Polar Surface Area

33.325

Acid Dissociation Constant (pKa)

9.76

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

V031-1319 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V031-1319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-1319?
Check Price and Availability of V031-1319, 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 V031-1319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-1319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-1319
  • 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 V031-1319 available by request