K405-3509 Screening compound: 1-[1-(5-chloro-2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-methylpiperidine

K405-3509 Screening compound: 1-[1-(5-chloro-2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-methylpiperidine
K405-3509 Screening compound: 1-[1-(5-chloro-2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-methylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound K405-3509
1-[1-(5-chloro-2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-methylpiperidine

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

K405-3509

Molecular Formula

C18H20ClN5 (C18 H20 ClN5)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C18H20ClN5/c1-12-5-7-23(8-6-12)17-15-10-22-24(18(15)21-11-20-17)16-9-14(19)4-3-13(16)2/h3-4,9-12H,5-8H2,1-2H3

InChI Key

VWURPNXWVGHVKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05956511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.84

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.172

Distribution Coefficient, logD

5.168

Water Solubility, LogSw

-5.62

Polar Surface Area

37.560

Acid Dissociation Constant (pKa)

20.72

Base Dissociation Constant (pKb)

5.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

K405-3509 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with K405-3509 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K405-3509?
Check Price and Availability of K405-3509, 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 K405-3509 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K405-3509
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K405-3509
  • 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 K405-3509 available by request