K898-0793 Screening compound: N-benzyl-2-{[5-(3-chloro-2-methylphenyl)-4-imino-3-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide

K898-0793 Screening compound: N-benzyl-2-{[5-(3-chloro-2-methylphenyl)-4-imino-3-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
K898-0793 Screening compound: N-benzyl-2-{[5-(3-chloro-2-methylphenyl)-4-imino-3-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K898-0793
N-benzyl-2-{[5-(3-chloro-2-methylphenyl)-4-imino-3-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}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

K898-0793

Molecular Formula

C22H21ClN6OS (C22 H21 ClN6 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1n[nH]c(N=C(N2c3cccc(Cl)c3C)SCC(NCc3ccccc3)=O)c1C2=N

InChI

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

InChI Key

SKMMAIGGCZEYSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111846

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

3.534

Distribution Coefficient, logD

-0.531

Water Solubility, LogSw

-4.19

Polar Surface Area

76.939

Acid Dissociation Constant (pKa)

11.57

Base Dissociation Constant (pKb)

11.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

K898-0793 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

C-Met Library (15277 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
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K898-0793 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K898-0793?
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What is the minimum amount of K898-0793 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K898-0793
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K898-0793
  • 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 K898-0793 available by request