K898-0777 Screening compound: 5-(3-chloro-2-methylphenyl)-3-methyl-6-{[(pyridin-2-yl)methyl]sulfanyl}-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-imine

K898-0777 Screening compound: 5-(3-chloro-2-methylphenyl)-3-methyl-6-{[(pyridin-2-yl)methyl]sulfanyl}-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-imine
K898-0777 Screening compound: 5-(3-chloro-2-methylphenyl)-3-methyl-6-{[(pyridin-2-yl)methyl]sulfanyl}-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound K898-0777
5-(3-chloro-2-methylphenyl)-3-methyl-6-{[(pyridin-2-yl)methyl]sulfanyl}-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-imine

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

K898-0777

Molecular Formula

C19H17ClN6S (C19 H17 ClN6 S)

Compound Name

5-(3-chloro-2-methylphenyl)-3-methyl-6-{[(pyridin-2-yl)methyl]sulfanyl}-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-imine

IUPAC name

5-(3-chloro-2-methylphenyl)-3-methyl-6-{[(pyridin-2-yl)methyl]sulfanyl}-1H4H5H-pyrazolo[34-d]pyrimidin-4-imine

SMILES

Cc1n[nH]c(N=C(N2c3cccc(Cl)c3C)SCc3ncccc3)c1C2=N

InChI

InChI=1S/C19H17ClN6S/c1-11-14(20)7-5-8-15(11)26-17(21)16-12(2)24-25-18(16)23-19(26)27-10-13-6-3-4-9-22-13/h3-9,21H,10H2,1-2H3,(H,24,25)

InChI Key

RGESVAATYRMXFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111842

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.381

Distribution Coefficient, logD

-0.683

Water Solubility, LogSw

-3.99

Polar Surface Area

62.011

Acid Dissociation Constant (pKa)

11.57

Base Dissociation Constant (pKb)

11.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

K898-0777 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K898-0777 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K898-0777?
Check Price and Availability of K898-0777, 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 K898-0777 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K898-0777
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K898-0777
  • 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 K898-0777 available by request