K898-1509 Screening compound: 2-{[5-(2-chlorophenyl)-4-imino-3-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide

K898-1509 Screening compound: 2-{[5-(2-chlorophenyl)-4-imino-3-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
K898-1509 Screening compound: 2-{[5-(2-chlorophenyl)-4-imino-3-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K898-1509
2-{[5-(2-chlorophenyl)-4-imino-3-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide

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

K898-1509

Molecular Formula

C22H21ClN6OS (C22 H21 ClN6 OS)

Compound Name

2-{[5-(2-chlorophenyl)-4-imino-3-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide

IUPAC name

2-{[5-(2-chlorophenyl)-4-imino-3-methyl-1H4H5H-pyrazolo[34-d]pyrimidin-6-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide

SMILES

Cc1n[nH]c(N=C(N2c(cccc3)c3Cl)SCC(NCc3ccc(C)cc3)=O)c1C2=N

InChI

InChI=1S/C22H21ClN6OS/c1-13-7-9-15(10-8-13)11-25-18(30)12-31-22-26-21-19(14(2)27-28-21)20(24)29(22)17-6-4-3-5-16(17)23/h3-10,24H,11-12H2,1-2H3,(H,25,30)(H,27,28)

InChI Key

MIKFFLURWJHWMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.337

Distribution Coefficient, logD

-0.650

Water Solubility, LogSw

-3.86

Polar Surface Area

76.939

Acid Dissociation Constant (pKa)

11.57

Base Dissociation Constant (pKb)

11.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

K898-1509 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

C-Met Library (15277 compounds)

CNS Targets (44014 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Nervous system
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K898-1509 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K898-1509?
Check Price and Availability of K898-1509, 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 K898-1509 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K898-1509
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K898-1509
  • 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 K898-1509 available by request