6312-0450 Screening compound: 6-{3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl}-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

6312-0450 Screening compound: 6-{3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl}-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
6312-0450 Screening compound: 6-{3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl}-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6312-0450
6-{3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl}-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

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

6312-0450

Molecular Formula

C29H28N4O3 (C29 H28 N4 O3)

Compound Name

6-{3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl}-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

IUPAC name

6-{3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl}-1-phenyl-1H4H5H-pyrazolo[34-d]pyrimidin-4-one

SMILES

CC(C)(C)c(cc1)ccc1OCc(cc(cc1)C(N2)=Nc(n(-c3ccccc3)nc3)c3C2=O)c1OC

InChI

InChI=1S/C29H28N4O3/c1-29(2,3)21-11-13-23(14-12-21)36-18-20-16-19(10-15-25(20)35-4)26-31-27-24(28(34)32-26)17-30-33(27)22-8-6-5-7-9-22/h5-17H,18H2,1-4H3,(H,31,32,34)

InChI Key

KIQKTXQUNDBRRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03678460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.335

Distribution Coefficient, logD

6.150

Water Solubility, LogSw

-5.42

Polar Surface Area

63.700

Acid Dissociation Constant (pKa)

7.68

Base Dissociation Constant (pKb)

4.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

6312-0450 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

Antifungal Library (16415 compounds)

Antimitotic Tubulin Library (17355 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

CORONAVIRUS Library (20774 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Targeted Diversity Library (40567 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Agro:
  • Agro
Targets:
  • Others
  • Phosphatases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6312-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6312-0450?
Check Price and Availability of 6312-0450, 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 6312-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6312-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6312-0450
  • 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 6312-0450 available by request