K898-0654 Screening compound: N-(2,5-dimethoxyphenyl)-2-{[5-(4-ethylphenyl)-4-imino-3-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide

K898-0654 Screening compound: N-(2,5-dimethoxyphenyl)-2-{[5-(4-ethylphenyl)-4-imino-3-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
K898-0654 Screening compound: N-(2,5-dimethoxyphenyl)-2-{[5-(4-ethylphenyl)-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 K898-0654
N-(2,5-dimethoxyphenyl)-2-{[5-(4-ethylphenyl)-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

K898-0654

Molecular Formula

C24H26N6O3S (C24 H26 N6 O3 S)

Compound Name

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

IUPAC name

N-(25-dimethoxyphenyl)-2-{[5-(4-ethylphenyl)-4-imino-3-methyl-1H4H5H-pyrazolo[34-d]pyrimidin-6-yl]sulfanyl}acetamide

SMILES

CCc(cc1)ccc1N1C(SCC(Nc(cc(cc2)OC)c2OC)=O)=Nc([nH]nc2C)c2C1=N

InChI

InChI=1S/C24H26N6O3S/c1-5-15-6-8-16(9-7-15)30-22(25)21-14(2)28-29-23(21)27-24(30)34-13-20(31)26-18-12-17(32-3)10-11-19(18)33-4/h6-12,25H,5,13H2,1-4H3,(H,26,31)(H,28,29)

InChI Key

FKEHMLRCCZYZFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111831

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.358

Distribution Coefficient, logD

-0.911

Water Solubility, LogSw

-3.69

Polar Surface Area

90.394

Acid Dissociation Constant (pKa)

10.69

Base Dissociation Constant (pKb)

11.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with K898-0654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K898-0654?
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What is the minimum amount of K898-0654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K898-0654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K898-0654
  • 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 K898-0654 available by request