K405-3489 Screening compound: 1-[1-(5-chloro-2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,2,3,4-tetrahydroquinoline

K405-3489 Screening compound: 1-[1-(5-chloro-2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,2,3,4-tetrahydroquinoline
K405-3489 Screening compound: 1-[1-(5-chloro-2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,2,3,4-tetrahydroquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound K405-3489
1-[1-(5-chloro-2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,2,3,4-tetrahydroquinoline

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

K405-3489

Molecular Formula

C21H18ClN5 (C21 H18 ClN5)

Compound Name

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

IUPAC name

1-[1-(5-chloro-2-methylphenyl)-1H-pyrazolo[34-d]pyrimidin-4-yl]-1234-tetrahydroquinoline

SMILES

Cc(ccc(Cl)c1)c1-n1ncc2c(N(CCC3)c4c3cccc4)ncnc12

InChI

InChI=1S/C21H18ClN5/c1-14-8-9-16(22)11-19(14)27-21-17(12-25-27)20(23-13-24-21)26-10-4-6-15-5-2-3-7-18(15)26/h2-3,5,7-9,11-13H,4,6,10H2,1H3

InChI Key

ODYIGQCGKVSVDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05956485

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.86

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

5.831

Distribution Coefficient, logD

5.830

Water Solubility, LogSw

-5.93

Polar Surface Area

36.224

Acid Dissociation Constant (pKa)

18.83

Base Dissociation Constant (pKb)

4.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

K405-3489 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K405-3489 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K405-3489?
Check Price and Availability of K405-3489, 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 K405-3489 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K405-3489
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K405-3489
  • 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 K405-3489 available by request