K405-4220 Screening compound: butyl 4-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate

K405-4220 Screening compound: butyl 4-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate
K405-4220 Screening compound: butyl 4-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K405-4220
butyl 4-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate

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

K405-4220

Molecular Formula

C22H20ClN5O2 (C22 H20 ClN5 O2)

Compound Name

butyl 4-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate

IUPAC name

butyl 4-{[1-(4-chlorophenyl)-1H-pyrazolo[34-d]pyrimidin-4-yl]amino}benzoate

SMILES

CCCCOC(c(cc1)ccc1Nc1c(cnn2-c(cc3)ccc3Cl)c2ncn1)=O

InChI

InChI=1S/C22H20ClN5O2/c1-2-3-12-30-22(29)15-4-8-17(9-5-15)27-20-19-13-26-28(21(19)25-14-24-20)18-10-6-16(23)7-11-18/h4-11,13-14H,2-3,12H2,1H3,(H,24,25,27)

InChI Key

XDIJWWRHCUFYTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03663215

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.250

Distribution Coefficient, logD

6.249

Water Solubility, LogSw

-6.28

Polar Surface Area

65.075

Acid Dissociation Constant (pKa)

16.21

Base Dissociation Constant (pKb)

3.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

K405-4220 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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 K405-4220 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K405-4220?
Check Price and Availability of K405-4220, 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 K405-4220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K405-4220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K405-4220
  • 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 K405-4220 available by request