K405-2649 Screening compound: 3-[(1-METHYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YL)AMINO]BENZONITRILE

K405-2649 Screening compound: 3-[(1-METHYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YL)AMINO]BENZONITRILE
K405-2649 Screening compound: 3-[(1-METHYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YL)AMINO]BENZONITRILE alternative view

Chemical Structure Depiction of ChemDiv screening compound K405-2649
3-[(1-METHYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YL)AMINO]BENZONITRILE

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

K405-2649

Molecular Formula

C13H10N6 (C13 H10 N6)

Compound Name

3-[(1-METHYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YL)AMINO]BENZONITRILE

IUPAC name

3-({1-methyl-1H-pyrazolo[34-d]pyrimidin-4-yl}amino)benzonitrile

SMILES

Cn1ncc2c1ncnc2Nc1cccc(C#N)c1

InChI

InChI=1S/C13H10N6/c1-19-13-11(7-17-19)12(15-8-16-13)18-10-4-2-3-9(5-10)6-14/h2-5,7-8H,1H3,(H,15,16,18)

InChI Key

BWXCPYLVBYESHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05938920

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

250.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.962

Distribution Coefficient, logD

1.960

Water Solubility, LogSw

-1.95

Polar Surface Area

61.505

Acid Dissociation Constant (pKa)

15.38

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.69

K405-2649 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

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

Fragments Library (11262 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
  • Fragments

References: we are preparing a list of scientific research reports with K405-2649 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K405-2649?
Check Price and Availability of K405-2649, 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 K405-2649 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K405-2649
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K405-2649
  • 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 K405-2649 available by request