C801-0237 Screening compound: 1-(4-chlorophenyl)-5-(3-methylbutyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

C801-0237 Screening compound: 1-(4-chlorophenyl)-5-(3-methylbutyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
C801-0237 Screening compound: 1-(4-chlorophenyl)-5-(3-methylbutyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C801-0237
1-(4-chlorophenyl)-5-(3-methylbutyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

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

C801-0237

Molecular Formula

C16H17ClN4O (C16 H17 ClN4 O)

Compound Name

1-(4-chlorophenyl)-5-(3-methylbutyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

IUPAC name

1-(4-chlorophenyl)-5-(3-methylbutyl)-1H4H5H-pyrazolo[34-d]pyrimidin-4-one

SMILES

CC(C)CCN(C=Nc1c2cnn1-c(cc1)ccc1Cl)C2=O

InChI

InChI=1S/C16H17ClN4O/c1-11(2)7-8-20-10-18-15-14(16(20)22)9-19-21(15)13-5-3-12(17)4-6-13/h3-6,9-11H,7-8H2,1-2H3

InChI Key

QWVMMKVTHULFRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05715429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.79

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.891

Distribution Coefficient, logD

3.891

Water Solubility, LogSw

-4.28

Polar Surface Area

40.539

Acid Dissociation Constant (pKa)

25.95

Base Dissociation Constant (pKb)

0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

C801-0237 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Cardiovascular Library (22201 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with C801-0237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C801-0237?
Check Price and Availability of C801-0237, 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 C801-0237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C801-0237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C801-0237
  • 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 C801-0237 available by request