K405-3533 Screening compound: 3-{[1-(5-chloro-2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzonitrile

K405-3533 Screening compound: 3-{[1-(5-chloro-2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzonitrile
K405-3533 Screening compound: 3-{[1-(5-chloro-2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound K405-3533
3-{[1-(5-chloro-2-methylphenyl)-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

K405-3533

Molecular Formula

C19H13ClN6 (C19 H13 ClN6)

Compound Name

3-{[1-(5-chloro-2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzonitrile

IUPAC name

3-{[1-(5-chloro-2-methylphenyl)-1H-pyrazolo[34-d]pyrimidin-4-yl]amino}benzonitrile

SMILES

Cc(ccc(Cl)c1)c1-n1ncc2c(Nc3cc(C#N)ccc3)ncnc12

InChI

InChI=1S/C19H13ClN6/c1-12-5-6-14(20)8-17(12)26-19-16(10-24-26)18(22-11-23-19)25-15-4-2-3-13(7-15)9-21/h2-8,10-11H,1H3,(H,22,23,25)

InChI Key

ODMRMBCMTIUSOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05956544

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.81

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.013

Distribution Coefficient, logD

5.013

Water Solubility, LogSw

-5.19

Polar Surface Area

60.783

Acid Dissociation Constant (pKa)

16.08

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

K405-3533 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K405-3533 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K405-3533?
Check Price and Availability of K405-3533, 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 K405-3533 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K405-3533
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K405-3533
  • 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 K405-3533 available by request