K898-0171 Screening compound: N-(4-ethylphenyl)-2-{[4-imino-3-methyl-5-(2-methylphenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide

K898-0171 Screening compound: N-(4-ethylphenyl)-2-{[4-imino-3-methyl-5-(2-methylphenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
K898-0171 Screening compound: N-(4-ethylphenyl)-2-{[4-imino-3-methyl-5-(2-methylphenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K898-0171
N-(4-ethylphenyl)-2-{[4-imino-3-methyl-5-(2-methylphenyl)-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

K898-0171

Molecular Formula

C23H24N6OS (C23 H24 N6 OS)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1NC(CSC(N1c2c(C)cccc2)=Nc([nH]nc2C)c2C1=N)=O

InChI

InChI=1S/C23H24N6OS/c1-4-16-9-11-17(12-10-16)25-19(30)13-31-23-26-22-20(15(3)27-28-22)21(24)29(23)18-8-6-5-7-14(18)2/h5-12,24H,4,13H2,1-3H3,(H,25,30)(H,27,28)

InChI Key

GIKGMGDGENSWGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.55

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

4.102

Distribution Coefficient, logD

-0.239

Water Solubility, LogSw

-4.20

Polar Surface Area

75.617

Acid Dissociation Constant (pKa)

11.57

Base Dissociation Constant (pKb)

9.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

K898-0171 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

C-Met Library (15277 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 K898-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K898-0171?
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What is the minimum amount of K898-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K898-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K898-0171
  • 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 K898-0171 available by request