K898-0723 Screening compound: 2-{[5-(3,4-dimethylphenyl)-4-imino-3-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide

K898-0723 Screening compound: 2-{[5-(3,4-dimethylphenyl)-4-imino-3-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide
K898-0723 Screening compound: 2-{[5-(3,4-dimethylphenyl)-4-imino-3-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K898-0723
2-{[5-(3,4-dimethylphenyl)-4-imino-3-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(furan-2-yl)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

K898-0723

Molecular Formula

C21H22N6O2S (C21 H22 N6 O2 S)

Compound Name

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

IUPAC name

n/a

SMILES

Cc1n[nH]c(N=C(N2c3cc(C)c(C)cc3)SCC(NCc3ccco3)=O)c1C2=N

InChI

InChI=1S/C21H22N6O2S/c1-12-6-7-15(9-13(12)2)27-19(22)18-14(3)25-26-20(18)24-21(27)30-11-17(28)23-10-16-5-4-8-29-16/h4-9,22H,10-11H2,1-3H3,(H,23,28)(H,25,26)

InChI Key

QOBULCBMWXAPCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.308

Distribution Coefficient, logD

-1.626

Water Solubility, LogSw

-3.63

Polar Surface Area

84.989

Acid Dissociation Constant (pKa)

13.08

Base Dissociation Constant (pKb)

10.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with K898-0723 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K898-0723?
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What is the minimum amount of K898-0723 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K898-0723
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K898-0723
  • 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 K898-0723 available by request