K898-0894 Screening compound: ethyl 2-(2-{[5-(4-ethoxyphenyl)-4-imino-3-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzoate

K898-0894 Screening compound: ethyl 2-(2-{[5-(4-ethoxyphenyl)-4-imino-3-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzoate
K898-0894 Screening compound: ethyl 2-(2-{[5-(4-ethoxyphenyl)-4-imino-3-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K898-0894
ethyl 2-(2-{[5-(4-ethoxyphenyl)-4-imino-3-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzoate

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

K898-0894

Molecular Formula

C25H26N6O4S (C25 H26 N6 O4 S)

Compound Name

ethyl 2-(2-{[5-(4-ethoxyphenyl)-4-imino-3-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzoate

IUPAC name

ethyl 2-(2-{[5-(4-ethoxyphenyl)-4-imino-3-methyl-1H4H5H-pyrazolo[34-d]pyrimidin-6-yl]sulfanyl}acetamido)benzoate

SMILES

CCOC(c(cccc1)c1NC(CSC(N1c(cc2)ccc2OCC)=Nc([nH]nc2C)c2C1=N)=O)=O

InChI

InChI=1S/C25H26N6O4S/c1-4-34-17-12-10-16(11-13-17)31-22(26)21-15(3)29-30-23(21)28-25(31)36-14-20(32)27-19-9-7-6-8-18(19)24(33)35-5-2/h6-13,26H,4-5,14H2,1-3H3,(H,27,32)(H,29,30)

InChI Key

AKRYBDZHKBFVCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111878

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.381

Distribution Coefficient, logD

-0.888

Water Solubility, LogSw

-3.78

Polar Surface Area

103.097

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

11.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with K898-0894 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K898-0894?
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What is the minimum amount of K898-0894 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K898-0894
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K898-0894
  • 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 K898-0894 available by request