F614-0491 Screening compound: ethyl 3-({1-[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}carbamoyl)propanoate

F614-0491 Screening compound: ethyl 3-({1-[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}carbamoyl)propanoate
F614-0491 Screening compound: ethyl 3-({1-[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}carbamoyl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F614-0491
ethyl 3-({1-[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}carbamoyl)propanoate

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

F614-0491

Molecular Formula

C23H25N7O3 (C23 H25 N7 O3)

Compound Name

ethyl 3-({1-[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}carbamoyl)propanoate

IUPAC name

ethyl 3-({1-[1-(24-dimethylphenyl)-1H-pyrazolo[34-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}carbamoyl)propanoate

SMILES

CCOC(CCC(Nc1cc(C)nn1-c1ncnc2c1cnn2-c1c(C)cc(C)cc1)=O)=O

InChI

InChI=1S/C23H25N7O3/c1-5-33-21(32)9-8-20(31)27-19-11-16(4)28-30(19)23-17-12-26-29(22(17)24-13-25-23)18-7-6-14(2)10-15(18)3/h6-7,10-13H,5,8-9H2,1-4H3,(H,27,31)

InChI Key

NDLDLOAOJKBYTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08923522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.516

Distribution Coefficient, logD

3.515

Water Solubility, LogSw

-3.50

Polar Surface Area

91.657

Acid Dissociation Constant (pKa)

10.09

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

F614-0491 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

Nucleoside Mimetics Library (2197 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • 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
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F614-0491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F614-0491?
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What is the minimum amount of F614-0491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F614-0491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F614-0491
  • 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 F614-0491 available by request