5223-6416 Screening compound: 2-methyl-4-[4-phenoxy-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol

5223-6416 Screening compound: 2-methyl-4-[4-phenoxy-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol
5223-6416 Screening compound: 2-methyl-4-[4-phenoxy-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5223-6416
2-methyl-4-[4-phenoxy-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol

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

5223-6416

Molecular Formula

C17H13F3N2O3 (C17 H13 F3 N2 O3)

Compound Name

2-methyl-4-[4-phenoxy-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol

IUPAC name

2-methyl-4-[4-phenoxy-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-13-diol

SMILES

Cc(c(O)c(cc1)-c2n[nH]c(C(F)(F)F)c2Oc2ccccc2)c1O

InChI

InChI=1S/C17H13F3N2O3/c1-9-12(23)8-7-11(14(9)24)13-15(16(22-21-13)17(18,19)20)25-10-5-3-2-4-6-10/h2-8,23-24H,1H3,(H,21,22)

InChI Key

FJKWWFQJFBYJRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02165378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.225

Distribution Coefficient, logD

4.215

Water Solubility, LogSw

-4.01

Polar Surface Area

63.217

Acid Dissociation Constant (pKa)

9.05

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

5223-6416 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5223-6416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5223-6416?
Check Price and Availability of 5223-6416, 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 5223-6416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5223-6416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5223-6416
  • 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 5223-6416 available by request