F614-0051 Screening compound: N-(3-methyl-1-{1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1H-pyrazol-5-yl)-2-(trifluoromethyl)benzamide

F614-0051 Screening compound: N-(3-methyl-1-{1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1H-pyrazol-5-yl)-2-(trifluoromethyl)benzamide
F614-0051 Screening compound: N-(3-methyl-1-{1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1H-pyrazol-5-yl)-2-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F614-0051
N-(3-methyl-1-{1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1H-pyrazol-5-yl)-2-(trifluoromethyl)benzamide

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

F614-0051

Molecular Formula

C23H16F3N7O (C23 H16 F3 N7 O)

Compound Name

N-(3-methyl-1-{1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1H-pyrazol-5-yl)-2-(trifluoromethyl)benzamide

IUPAC name

N-(3-methyl-1-{1-phenyl-1H-pyrazolo[34-d]pyrimidin-4-yl}-1H-pyrazol-5-yl)-2-(trifluoromethyl)benzamide

SMILES

Cc(cc1NC(c2c(C(F)(F)F)cccc2)=O)nn1-c1ncnc2c1cnn2-c1ccccc1

InChI

InChI=1S/C23H16F3N7O/c1-14-11-19(30-22(34)16-9-5-6-10-18(16)23(24,25)26)33(31-14)21-17-12-29-32(20(17)27-13-28-21)15-7-3-2-4-8-15/h2-13H,1H3,(H,30,34)

InChI Key

IFUHPBYUKNDELQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08922833

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.048

Distribution Coefficient, logD

2.364

Water Solubility, LogSw

-4.08

Polar Surface Area

71.741

Acid Dissociation Constant (pKa)

5.72

Base Dissociation Constant (pKb)

3.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

F614-0051 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

CNS Targets (44014 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F614-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F614-0051?
Check Price and Availability of F614-0051, 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 F614-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F614-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F614-0051
  • 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 F614-0051 available by request