C801-0102 Screening compound: methyl 2-{4-oxo-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl}acetate

C801-0102 Screening compound: methyl 2-{4-oxo-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl}acetate
C801-0102 Screening compound: methyl 2-{4-oxo-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C801-0102
methyl 2-{4-oxo-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl}acetate

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

C801-0102

Molecular Formula

C14H12N4O3 (C14 H12 N4 O3)

Compound Name

methyl 2-{4-oxo-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl}acetate

IUPAC name

methyl 2-{4-oxo-1-phenyl-1H4H5H-pyrazolo[34-d]pyrimidin-5-yl}acetate

SMILES

COC(CN(C=Nc1c2cnn1-c1ccccc1)C2=O)=O

InChI

InChI=1S/C14H12N4O3/c1-21-12(19)8-17-9-15-13-11(14(17)20)7-16-18(13)10-5-3-2-4-6-10/h2-7,9H,8H2,1H3

InChI Key

DAYWPKYIQKKJQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05715422

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.133

Distribution Coefficient, logD

1.133

Water Solubility, LogSw

-2.18

Polar Surface Area

61.140

Acid Dissociation Constant (pKa)

24.27

Base Dissociation Constant (pKb)

0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C801-0102 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C801-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C801-0102?
Check Price and Availability of C801-0102, 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 C801-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C801-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C801-0102
  • 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 C801-0102 available by request