F614-0451 Screening compound: 2-(3,4-dimethoxyphenyl)-N-{1-[1-(2,3-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}acetamide

F614-0451 Screening compound: 2-(3,4-dimethoxyphenyl)-N-{1-[1-(2,3-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}acetamide
F614-0451 Screening compound: 2-(3,4-dimethoxyphenyl)-N-{1-[1-(2,3-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F614-0451
2-(3,4-dimethoxyphenyl)-N-{1-[1-(2,3-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}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

F614-0451

Molecular Formula

C27H27N7O3 (C27 H27 N7 O3)

Compound Name

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

IUPAC name

2-(34-dimethoxyphenyl)-N-{1-[1-(23-dimethylphenyl)-1H-pyrazolo[34-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}acetamide

SMILES

Cc(cc1NC(Cc(cc2)cc(OC)c2OC)=O)nn1-c1ncnc2c1cnn2-c1c(C)c(C)ccc1

InChI

InChI=1S/C27H27N7O3/c1-16-7-6-8-21(18(16)3)33-26-20(14-30-33)27(29-15-28-26)34-24(11-17(2)32-34)31-25(35)13-19-9-10-22(36-4)23(12-19)37-5/h6-12,14-15H,13H2,1-5H3,(H,31,35)

InChI Key

XNWTUXJSKNPUGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08923457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.031

Distribution Coefficient, logD

4.028

Water Solubility, LogSw

-4.05

Polar Surface Area

86.487

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

4.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

F614-0451 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 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 F614-0451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F614-0451?
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What is the minimum amount of F614-0451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F614-0451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F614-0451
  • 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 F614-0451 available by request