K402-1061 Screening compound: N-[4-(benzyloxy)phenyl]-1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

K402-1061 Screening compound: N-[4-(benzyloxy)phenyl]-1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
K402-1061 Screening compound: N-[4-(benzyloxy)phenyl]-1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound K402-1061
N-[4-(benzyloxy)phenyl]-1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

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

K402-1061

Molecular Formula

C26H23N5O (C26 H23 N5 O)

Compound Name

N-[4-(benzyloxy)phenyl]-1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

IUPAC name

N-[4-(benzyloxy)phenyl]-1-(24-dimethylphenyl)-1H-pyrazolo[34-d]pyrimidin-4-amine

SMILES

Cc(cc1)cc(C)c1-n1ncc2c1ncnc2Nc(cc1)ccc1OCc1ccccc1

InChI

InChI=1S/C26H23N5O/c1-18-8-13-24(19(2)14-18)31-26-23(15-29-31)25(27-17-28-26)30-21-9-11-22(12-10-21)32-16-20-6-4-3-5-7-20/h3-15,17H,16H2,1-2H3,(H,27,28,30)

InChI Key

YKMCVISTWYTJAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04449425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.583

Distribution Coefficient, logD

6.583

Water Solubility, LogSw

-5.74

Polar Surface Area

50.954

Acid Dissociation Constant (pKa)

17.57

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

K402-1061 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 K402-1061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K402-1061?
Check Price and Availability of K402-1061, 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 K402-1061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K402-1061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K402-1061
  • 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 K402-1061 available by request