5672-0073 Screening compound: 5-amino-6-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

5672-0073 Screening compound: 5-amino-6-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
5672-0073 Screening compound: 5-amino-6-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5672-0073
5-amino-6-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1-phenyl-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

5672-0073

Molecular Formula

C19H15N5O3S (C19 H15 N5 O3 S)

Compound Name

5-amino-6-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

IUPAC name

5-amino-6-{[(2H-13-benzodioxol-5-yl)methyl]sulfanyl}-1-phenyl-1H4H5H-pyrazolo[34-d]pyrimidin-4-one

SMILES

NN1C(SCc(cc2)cc3c2OCO3)=Nc(n(-c2ccccc2)nc2)c2C1=O

InChI

InChI=1S/C19H15N5O3S/c20-23-18(25)14-9-21-24(13-4-2-1-3-5-13)17(14)22-19(23)28-10-12-6-7-15-16(8-12)27-11-26-15/h1-9H,10-11,20H2

InChI Key

NNXAVPVRFBPVPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03674126

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.950

Distribution Coefficient, logD

2.950

Water Solubility, LogSw

-3.43

Polar Surface Area

73.614

Acid Dissociation Constant (pKa)

26.02

Base Dissociation Constant (pKb)

-1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

5672-0073 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 5672-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5672-0073?
Check Price and Availability of 5672-0073, 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 5672-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5672-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5672-0073
  • 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 5672-0073 available by request