D224-0076 Screening compound: 3-[1-(3,4-dimethylphenyl)-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-6-yl]pyridine

D224-0076 Screening compound: 3-[1-(3,4-dimethylphenyl)-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-6-yl]pyridine
D224-0076 Screening compound: 3-[1-(3,4-dimethylphenyl)-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-6-yl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound D224-0076
3-[1-(3,4-dimethylphenyl)-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-6-yl]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

D224-0076

Molecular Formula

C21H17F3N4 (C21 H17 F3 N4)

Compound Name

3-[1-(3,4-dimethylphenyl)-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-6-yl]pyridine

IUPAC name

3-[1-(34-dimethylphenyl)-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[34-b]pyridin-6-yl]pyridine

SMILES

Cc(c1c(C(F)(F)F)cc(-c2cnccc2)nc11)nn1-c1cc(C)c(C)cc1

InChI

InChI=1S/C21H17F3N4/c1-12-6-7-16(9-13(12)2)28-20-19(14(3)27-28)17(21(22,23)24)10-18(26-20)15-5-4-8-25-11-15/h4-11H,1-3H3

InChI Key

CTXBEQIAVIBSDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07125963

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.419

Distribution Coefficient, logD

5.361

Water Solubility, LogSw

-5.62

Polar Surface Area

32.880

Acid Dissociation Constant (pKa)

27.62

Base Dissociation Constant (pKb)

6.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

D224-0076 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antifungal Library (16415 compounds)

Antiviral Annotated Library (21441 compounds)

BRD4 Targeted Library (4534 compounds)

Selective Target Activity Profiling Library (14702 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
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Agro:
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with D224-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D224-0076?
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What is the minimum amount of D224-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D224-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D224-0076
  • 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 D224-0076 available by request