K402-0753 Screening compound: 1-[(4-chlorophenyl)(phenyl)methyl]-4-[1-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazine

K402-0753 Screening compound: 1-[(4-chlorophenyl)(phenyl)methyl]-4-[1-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazine
K402-0753 Screening compound: 1-[(4-chlorophenyl)(phenyl)methyl]-4-[1-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound K402-0753
1-[(4-chlorophenyl)(phenyl)methyl]-4-[1-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazine

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

K402-0753

Molecular Formula

C29H27ClN6O (C29 H27 ClN6 O)

Compound Name

1-[(4-chlorophenyl)(phenyl)methyl]-4-[1-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazine

IUPAC name

1-[(4-chlorophenyl)(phenyl)methyl]-4-[1-(4-methoxyphenyl)-1H-pyrazolo[34-d]pyrimidin-4-yl]piperazine

SMILES

COc(cc1)ccc1-n1ncc2c1ncnc2N(CC1)CCN1C(c1ccccc1)c(cc1)ccc1Cl

InChI

InChI=1S/C29H27ClN6O/c1-37-25-13-11-24(12-14-25)36-29-26(19-33-36)28(31-20-32-29)35-17-15-34(16-18-35)27(21-5-3-2-4-6-21)22-7-9-23(30)10-8-22/h2-14,19-20,27H,15-18H2,1H3/t27-/m0/s1

InChI Key

MMUQYUAKOMZURV-MHZLTWQESA-N

MDL Number (MFCD)

MFCD04449391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.03

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.592

Distribution Coefficient, logD

6.589

Water Solubility, LogSw

-6.73

Polar Surface Area

47.966

Acid Dissociation Constant (pKa)

21.11

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.70

K402-0753 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

CNS Targets (44014 compounds)

DGK Inhibitors Library (10558 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
  • Ion Channels
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K402-0753 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K402-0753?
Check Price and Availability of K402-0753, 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 K402-0753 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K402-0753
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K402-0753
  • 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 K402-0753 available by request