K405-3952 Screening compound: N'-[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3,4-dimethoxybenzohydrazide

K405-3952 Screening compound: N'-[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3,4-dimethoxybenzohydrazide
K405-3952 Screening compound: N'-[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3,4-dimethoxybenzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound K405-3952
N'-[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3,4-dimethoxybenzohydrazide

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

K405-3952

Molecular Formula

C20H17ClN6O3 (C20 H17 ClN6 O3)

Compound Name

N'-[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3,4-dimethoxybenzohydrazide

IUPAC name

N'-[1-(3-chlorophenyl)-1H-pyrazolo[34-d]pyrimidin-4-yl]-34-dimethoxybenzohydrazide

SMILES

COc(ccc(C(NNc1c(cnn2-c3cccc(Cl)c3)c2ncn1)=O)c1)c1OC

InChI

InChI=1S/C20H17ClN6O3/c1-29-16-7-6-12(8-17(16)30-2)20(28)26-25-18-15-10-24-27(19(15)23-11-22-18)14-5-3-4-13(21)9-14/h3-11H,1-2H3,(H,26,28)(H,22,23,25)

InChI Key

BLDPUUWKCADFCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05957013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.85

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.404

Distribution Coefficient, logD

3.404

Water Solubility, LogSw

-3.77

Polar Surface Area

87.393

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

K405-3952 in Drug Discovery

Included in Screening Libraries

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 K405-3952 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K405-3952?
Check Price and Availability of K405-3952, 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 K405-3952 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K405-3952
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K405-3952
  • 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 K405-3952 available by request