C801-0673 Screening compound: 1-tert-butyl-5-[(3-chlorophenyl)methyl]-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

C801-0673 Screening compound: 1-tert-butyl-5-[(3-chlorophenyl)methyl]-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
C801-0673 Screening compound: 1-tert-butyl-5-[(3-chlorophenyl)methyl]-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C801-0673
1-tert-butyl-5-[(3-chlorophenyl)methyl]-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

C801-0673

Molecular Formula

C16H17ClN4O (C16 H17 ClN4 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)n1ncc2c1N=CN(Cc1cccc(Cl)c1)C2=O

InChI

InChI=1S/C16H17ClN4O/c1-16(2,3)21-14-13(8-19-21)15(22)20(10-18-14)9-11-5-4-6-12(17)7-11/h4-8,10H,9H2,1-3H3

InChI Key

TURJZDHPKKLVTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05893796

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

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.089

Distribution Coefficient, logD

3.089

Water Solubility, LogSw

-3.42

Polar Surface Area

41.256

Acid Dissociation Constant (pKa)

29.39

Base Dissociation Constant (pKb)

1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

C801-0673 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C801-0673 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C801-0673?
Check Price and Availability of C801-0673, 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 C801-0673 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C801-0673
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C801-0673
  • 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 C801-0673 available by request