F614-0549 Screening compound: N-{1-[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-2-(4-ethoxyphenyl)acetamide

F614-0549 Screening compound: N-{1-[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-2-(4-ethoxyphenyl)acetamide
F614-0549 Screening compound: N-{1-[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-2-(4-ethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F614-0549
N-{1-[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-2-(4-ethoxyphenyl)acetamide

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

F614-0549

Molecular Formula

C27H27N7O2 (C27 H27 N7 O2)

Compound Name

N-{1-[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-2-(4-ethoxyphenyl)acetamide

IUPAC name

N-{1-[1-(24-dimethylphenyl)-1H-pyrazolo[34-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-2-(4-ethoxyphenyl)acetamide

SMILES

CCOc1ccc(CC(Nc2cc(C)nn2-c2ncnc3c2cnn3-c2c(C)cc(C)cc2)=O)cc1

InChI

InChI=1S/C27H27N7O2/c1-5-36-21-9-7-20(8-10-21)14-25(35)31-24-13-19(4)32-34(24)27-22-15-30-33(26(22)28-16-29-27)23-11-6-17(2)12-18(23)3/h6-13,15-16H,5,14H2,1-4H3,(H,31,35)

InChI Key

DXHCNVLMOXQQJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08923605

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.987

Distribution Coefficient, logD

4.985

Water Solubility, LogSw

-4.55

Polar Surface Area

78.350

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

F614-0549 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

C-Met Library (15277 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F614-0549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F614-0549?
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What is the minimum amount of F614-0549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F614-0549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F614-0549
  • 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 F614-0549 available by request