K405-3635 Screening compound: 1-[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]azepane

K405-3635 Screening compound: 1-[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]azepane
K405-3635 Screening compound: 1-[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound K405-3635
1-[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]azepane

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

K405-3635

Molecular Formula

C18H21N5 (C18 H21 N5)

Compound Name

1-[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]azepane

IUPAC name

1-[1-(4-methylphenyl)-1H-pyrazolo[34-d]pyrimidin-4-yl]azepane

SMILES

Cc(cc1)ccc1-n1ncc2c1ncnc2N1CCCCCC1

InChI

InChI=1S/C18H21N5/c1-14-6-8-15(9-7-14)23-18-16(12-21-23)17(19-13-20-18)22-10-4-2-3-5-11-22/h6-9,12-13H,2-5,10-11H2,1H3

InChI Key

VGYRPIDHIZEFMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05956664

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.4

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

4.678

Distribution Coefficient, logD

4.676

Water Solubility, LogSw

-4.18

Polar Surface Area

38.192

Acid Dissociation Constant (pKa)

21.80

Base Dissociation Constant (pKb)

4.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

K405-3635 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

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 K405-3635 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K405-3635?
Check Price and Availability of K405-3635, 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 K405-3635 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K405-3635
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K405-3635
  • 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 K405-3635 available by request