D224-0005 Screening compound: 3,6-dimethyl-1-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine

D224-0005 Screening compound: 3,6-dimethyl-1-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine
D224-0005 Screening compound: 3,6-dimethyl-1-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound D224-0005
3,6-dimethyl-1-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine

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

D224-0005

Molecular Formula

C15H12F3N3 (C15 H12 F3 N3)

Compound Name

3,6-dimethyl-1-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine

IUPAC name

36-dimethyl-1-phenyl-4-(trifluoromethyl)-1H-pyrazolo[34-b]pyridine

SMILES

Cc(c1c(C(F)(F)F)cc(C)nc11)nn1-c1ccccc1

InChI

InChI=1S/C15H12F3N3/c1-9-8-12(15(16,17)18)13-10(2)20-21(14(13)19-9)11-6-4-3-5-7-11/h3-8H,1-2H3

InChI Key

OLENTMMSLRYFSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02921040

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.28

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.628

Distribution Coefficient, logD

3.628

Water Solubility, LogSw

-4.15

Polar Surface Area

23.441

Acid Dissociation Constant (pKa)

28.87

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D224-0005 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
  • Fragments

References: we are preparing a list of scientific research reports with D224-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D224-0005?
Check Price and Availability of D224-0005, 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 D224-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D224-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D224-0005
  • 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 D224-0005 available by request