C066-5655 Screening compound: methyl 6-methyl-1-(4-methylphenyl)-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidine-3-carboxylate

C066-5655 Screening compound: methyl 6-methyl-1-(4-methylphenyl)-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidine-3-carboxylate
C066-5655 Screening compound: methyl 6-methyl-1-(4-methylphenyl)-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-5655
methyl 6-methyl-1-(4-methylphenyl)-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidine-3-carboxylate

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

C066-5655

Molecular Formula

C15H14N4O3 (C15 H14 N4 O3)

Compound Name

methyl 6-methyl-1-(4-methylphenyl)-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidine-3-carboxylate

IUPAC name

methyl 6-methyl-1-(4-methylphenyl)-7-oxo-1H6H7H-pyrazolo[43-d]pyrimidine-3-carboxylate

SMILES

Cc(cc1)ccc1-n1nc(C(OC)=O)c(N=CN2C)c1C2=O

InChI

InChI=1S/C15H14N4O3/c1-9-4-6-10(7-5-9)19-13-11(12(17-19)15(21)22-3)16-8-18(2)14(13)20/h4-8H,1-3H3

InChI Key

YIFSLCNVYKZJGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14716292

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.080

Distribution Coefficient, logD

1.080

Water Solubility, LogSw

-1.82

Polar Surface Area

59.500

Acid Dissociation Constant (pKa)

28.37

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C066-5655 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Fragments Library (11262 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Structure:
  • Fragments
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C066-5655 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-5655?
Check Price and Availability of C066-5655, 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 C066-5655 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-5655
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-5655
  • 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 C066-5655 available by request