C801-0452 Screening compound: methyl 2-[1-(4-fluorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl]propanoate

C801-0452 Screening compound: methyl 2-[1-(4-fluorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl]propanoate
C801-0452 Screening compound: methyl 2-[1-(4-fluorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C801-0452
methyl 2-[1-(4-fluorophenyl)-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

C801-0452

Molecular Formula

C15H13FN4O3 (C15 H13 FN4 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C(OC)=O)N(C=Nc1c2cnn1-c(cc1)ccc1F)C2=O

InChI

InChI=1S/C15H13FN4O3/c1-9(15(22)23-2)19-8-17-13-12(14(19)21)7-18-20(13)11-5-3-10(16)4-6-11/h3-9H,1-2H3/t9-/m0/s1

InChI Key

IIYCCBRWIZOFLI-VIFPVBQESA-N

MDL Number (MFCD)

MFCD05715613

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.29

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

1.553

Distribution Coefficient, logD

1.553

Water Solubility, LogSw

-1.95

Polar Surface Area

61.241

Acid Dissociation Constant (pKa)

22.28

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

C801-0452 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Annotated Library (21441 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C801-0452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C801-0452?
Check Price and Availability of C801-0452, 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 C801-0452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C801-0452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C801-0452
  • 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 C801-0452 available by request