5451-0467 Screening compound: 3-[(3-chloro-2,5,6-trifluoropyridin-4-yl)oxy]phenol

5451-0467 Screening compound: 3-[(3-chloro-2,5,6-trifluoropyridin-4-yl)oxy]phenol
5451-0467 Screening compound: 3-[(3-chloro-2,5,6-trifluoropyridin-4-yl)oxy]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5451-0467
3-[(3-chloro-2,5,6-trifluoropyridin-4-yl)oxy]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

5451-0467

Molecular Formula

C11H5ClF3NO2 (C11 H5 ClF3 NO2)

Compound Name

3-[(3-chloro-2,5,6-trifluoropyridin-4-yl)oxy]phenol

IUPAC name

3-[(3-chloro-256-trifluoropyridin-4-yl)oxy]phenol

SMILES

Oc1cccc(Oc(c(Cl)c(nc2F)F)c2F)c1

InChI

InChI=1S/C11H5ClF3NO2/c12-7-9(8(13)11(15)16-10(7)14)18-6-3-1-2-5(17)4-6/h1-4,17H

InChI Key

VMCOXRFZPFQRNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03669845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

275.61

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.637

Distribution Coefficient, logD

3.609

Water Solubility, LogSw

-3.70

Polar Surface Area

38.696

Acid Dissociation Constant (pKa)

8.58

Base Dissociation Constant (pKb)

-9.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

5451-0467 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 5451-0467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5451-0467?
Check Price and Availability of 5451-0467, 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 5451-0467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5451-0467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5451-0467
  • 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 5451-0467 available by request