C801-0323 Screening compound: methyl 5-{[1-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl]methyl}furan-2-carboxylate

C801-0323 Screening compound: methyl 5-{[1-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl]methyl}furan-2-carboxylate
C801-0323 Screening compound: methyl 5-{[1-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl]methyl}furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C801-0323
methyl 5-{[1-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl]methyl}furan-2-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

C801-0323

Molecular Formula

C18H13ClN4O4 (C18 H13 ClN4 O4)

Compound Name

methyl 5-{[1-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl]methyl}furan-2-carboxylate

IUPAC name

methyl 5-{[1-(4-chlorophenyl)-4-oxo-1H4H5H-pyrazolo[34-d]pyrimidin-5-yl]methyl}furan-2-carboxylate

SMILES

COC(c1ccc(CN(C=Nc2c3cnn2-c(cc2)ccc2Cl)C3=O)o1)=O

InChI

InChI=1S/C18H13ClN4O4/c1-26-18(25)15-7-6-13(27-15)9-22-10-20-16-14(17(22)24)8-21-23(16)12-4-2-11(19)3-5-12/h2-8,10H,9H2,1H3

InChI Key

BVMRADWZLYCSFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05715513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.78

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.120

Distribution Coefficient, logD

3.120

Water Solubility, LogSw

-3.49

Polar Surface Area

69.305

Acid Dissociation Constant (pKa)

34.20

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

C801-0323 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiviral Annotated Library (21441 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C801-0323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C801-0323?
Check Price and Availability of C801-0323, 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 C801-0323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C801-0323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C801-0323
  • 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 C801-0323 available by request