C801-0334 Screening compound: ethyl 2-[1-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl]propanoate

C801-0334 Screening compound: ethyl 2-[1-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl]propanoate
C801-0334 Screening compound: ethyl 2-[1-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C801-0334
ethyl 2-[1-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl]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

C801-0334

Molecular Formula

C16H15ClN4O3 (C16 H15 ClN4 O3)

Compound Name

ethyl 2-[1-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl]propanoate

IUPAC name

ethyl 2-[1-(4-chlorophenyl)-4-oxo-1H4H5H-pyrazolo[34-d]pyrimidin-5-yl]propanoate

SMILES

CCOC(C(C)N(C=Nc1c2cnn1-c(cc1)ccc1Cl)C2=O)=O

InChI

InChI=1S/C16H15ClN4O3/c1-3-24-16(23)10(2)20-9-18-14-13(15(20)22)8-19-21(14)12-6-4-11(17)5-7-12/h4-10H,3H2,1-2H3/t10-/m0/s1

InChI Key

AARVTGUIEGZFIT-JTQLQIEISA-N

MDL Number (MFCD)

MFCD05715521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.77

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.653

Distribution Coefficient, logD

2.653

Water Solubility, LogSw

-3.38

Polar Surface Area

60.821

Acid Dissociation Constant (pKa)

22.86

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

C801-0334 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C801-0334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C801-0334?
Check Price and Availability of C801-0334, 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 C801-0334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C801-0334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C801-0334
  • 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 C801-0334 available by request