K898-0472 Screening compound: 2-({[5-(4-CHLORO-3-METHYLPHENYL)-4-IMINO-3-METHYL-1H,4H,5H-PYRAZOLO[3,4-D]PYRIMIDIN-6-YL]SULFANYL}METHYL)-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE

K898-0472 Screening compound: 2-({[5-(4-CHLORO-3-METHYLPHENYL)-4-IMINO-3-METHYL-1H,4H,5H-PYRAZOLO[3,4-D]PYRIMIDIN-6-YL]SULFANYL}METHYL)-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE
K898-0472 Screening compound: 2-({[5-(4-CHLORO-3-METHYLPHENYL)-4-IMINO-3-METHYL-1H,4H,5H-PYRAZOLO[3,4-D]PYRIMIDIN-6-YL]SULFANYL}METHYL)-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound K898-0472
2-({[5-(4-CHLORO-3-METHYLPHENYL)-4-IMINO-3-METHYL-1H,4H,5H-PYRAZOLO[3,4-D]PYRIMIDIN-6-YL]SULFANYL}METHYL)-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE

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

K898-0472

Molecular Formula

C22H18ClN7OS (C22 H18 ClN7 OS)

Compound Name

2-({[5-(4-CHLORO-3-METHYLPHENYL)-4-IMINO-3-METHYL-1H,4H,5H-PYRAZOLO[3,4-D]PYRIMIDIN-6-YL]SULFANYL}METHYL)-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE

IUPAC name

n/a

SMILES

Cc1n[nH]c(N=C(N2c(cc3)cc(C)c3Cl)SCC(N=C3N4C=CC=C3)=CC4=O)c1C2=N

InChI

InChI=1S/C22H18ClN7OS/c1-12-9-15(6-7-16(12)23)30-20(24)19-13(2)27-28-21(19)26-22(30)32-11-14-10-18(31)29-8-4-3-5-17(29)25-14/h3-10,24H,11H2,1-2H3,(H,27,28)

InChI Key

OQCWLCXFISDDRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05030838

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.95

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.216

Distribution Coefficient, logD

-1.718

Water Solubility, LogSw

-3.83

Polar Surface Area

78.755

Acid Dissociation Constant (pKa)

13.08

Base Dissociation Constant (pKb)

10.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

K898-0472 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system

References: we are preparing a list of scientific research reports with K898-0472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K898-0472?
Check Price and Availability of K898-0472, 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 K898-0472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K898-0472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K898-0472
  • 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 K898-0472 available by request