K898-0211 Screening compound: 2-{[4-imino-3-methyl-5-(2-methylphenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-1-(morpholin-4-yl)butan-1-one

K898-0211 Screening compound: 2-{[4-imino-3-methyl-5-(2-methylphenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-1-(morpholin-4-yl)butan-1-one
K898-0211 Screening compound: 2-{[4-imino-3-methyl-5-(2-methylphenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-1-(morpholin-4-yl)butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K898-0211
2-{[4-imino-3-methyl-5-(2-methylphenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-1-(morpholin-4-yl)butan-1-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

K898-0211

Molecular Formula

C21H26N6O2S (C21 H26 N6 O2 S)

Compound Name

2-{[4-imino-3-methyl-5-(2-methylphenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-1-(morpholin-4-yl)butan-1-one

IUPAC name

2-{[4-imino-3-methyl-5-(2-methylphenyl)-1H4H5H-pyrazolo[34-d]pyrimidin-6-yl]sulfanyl}-1-(morpholin-4-yl)butan-1-one

SMILES

CCC(C(N1CCOCC1)=O)SC(N1c2c(C)cccc2)=Nc([nH]nc2C)c2C1=N

InChI

InChI=1S/C21H26N6O2S/c1-4-16(20(28)26-9-11-29-12-10-26)30-21-23-19-17(14(3)24-25-19)18(22)27(21)15-8-6-5-7-13(15)2/h5-8,16,22H,4,9-12H2,1-3H3,(H,24,25)/t16-/m0/s1

InChI Key

IELUMLYBJFLCRB-INIZCTEOSA-N

MDL Number (MFCD)

MFCD15111746

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.371

Distribution Coefficient, logD

-2.272

Water Solubility, LogSw

-2.59

Polar Surface Area

77.296

Acid Dissociation Constant (pKa)

11.57

Base Dissociation Constant (pKb)

12.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

K898-0211 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K898-0211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K898-0211?
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What is the minimum amount of K898-0211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K898-0211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K898-0211
  • 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 K898-0211 available by request