C374-2213 Screening compound: ethyl 4-[6-methyl-1-(4-methylphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl]benzoate

C374-2213 Screening compound: ethyl 4-[6-methyl-1-(4-methylphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl]benzoate
C374-2213 Screening compound: ethyl 4-[6-methyl-1-(4-methylphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C374-2213
ethyl 4-[6-methyl-1-(4-methylphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl]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

C374-2213

Molecular Formula

C22H20N4O3 (C22 H20 N4 O3)

Compound Name

ethyl 4-[6-methyl-1-(4-methylphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl]benzoate

IUPAC name

ethyl 4-[6-methyl-1-(4-methylphenyl)-4-oxo-1H4H5H-pyrazolo[34-d]pyrimidin-5-yl]benzoate

SMILES

CCOC(c(cc1)ccc1N(C(C)=Nc1c2cnn1-c1ccc(C)cc1)C2=O)=O

InChI

InChI=1S/C22H20N4O3/c1-4-29-22(28)16-7-11-17(12-8-16)25-15(3)24-20-19(21(25)27)13-23-26(20)18-9-5-14(2)6-10-18/h5-13H,4H2,1-3H3

InChI Key

RPJJMLINCBIACB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754535

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.189

Distribution Coefficient, logD

4.183

Water Solubility, LogSw

-4.02

Polar Surface Area

58.478

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

5.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with C374-2213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C374-2213?
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What is the minimum amount of C374-2213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C374-2213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C374-2213
  • 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 C374-2213 available by request