K405-3513 Screening compound: 1-[1-(5-chloro-2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-ethylpiperazine

K405-3513 Screening compound: 1-[1-(5-chloro-2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-ethylpiperazine
K405-3513 Screening compound: 1-[1-(5-chloro-2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-ethylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound K405-3513
1-[1-(5-chloro-2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-ethylpiperazine

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

K405-3513

Molecular Formula

C18H21ClN6 (C18 H21 ClN6)

Compound Name

1-[1-(5-chloro-2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-ethylpiperazine

IUPAC name

1-[1-(5-chloro-2-methylphenyl)-1H-pyrazolo[34-d]pyrimidin-4-yl]-4-ethylpiperazine

SMILES

CCN(CC1)CCN1c1c(cnn2-c3c(C)ccc(Cl)c3)c2ncn1

InChI

InChI=1S/C18H21ClN6/c1-3-23-6-8-24(9-7-23)17-15-11-22-25(18(15)21-12-20-17)16-10-14(19)5-4-13(16)2/h4-5,10-12H,3,6-9H2,1-2H3

InChI Key

OYQKABWICONXNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05956516

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.86

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.005

Distribution Coefficient, logD

3.433

Water Solubility, LogSw

-4.11

Polar Surface Area

41.097

Acid Dissociation Constant (pKa)

21.41

Base Dissociation Constant (pKb)

7.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

K405-3513 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Adenosine Receptors Targeted Library (19896 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
Therapeutical areas:
  • 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 K405-3513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K405-3513?
Check Price and Availability of K405-3513, 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 K405-3513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K405-3513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K405-3513
  • 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 K405-3513 available by request