P684-3548 Screening compound: methyl 2-[4-hydroxy-1-(4-methylphenyl)-6-oxo-1H,6H,7H-pyrazolo[3,4-b]pyridine-5-amido]benzoate

P684-3548 Screening compound: methyl 2-[4-hydroxy-1-(4-methylphenyl)-6-oxo-1H,6H,7H-pyrazolo[3,4-b]pyridine-5-amido]benzoate
P684-3548 Screening compound: methyl 2-[4-hydroxy-1-(4-methylphenyl)-6-oxo-1H,6H,7H-pyrazolo[3,4-b]pyridine-5-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound P684-3548
methyl 2-[4-hydroxy-1-(4-methylphenyl)-6-oxo-1H,6H,7H-pyrazolo[3,4-b]pyridine-5-amido]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

P684-3548

Molecular Formula

C22H18N4O5 (C22 H18 N4 O5)

Compound Name

methyl 2-[4-hydroxy-1-(4-methylphenyl)-6-oxo-1H,6H,7H-pyrazolo[3,4-b]pyridine-5-amido]benzoate

IUPAC name

methyl 2-[4-hydroxy-1-(4-methylphenyl)-6-oxo-1H6H7H-pyrazolo[34-b]pyridine-5-amido]benzoate

SMILES

Cc(cc1)ccc1-n1ncc(C(O)=C2C(Nc(cccc3)c3C(OC)=O)=O)c1NC2=O

InChI

InChI=1S/C22H18N4O5/c1-12-7-9-13(10-8-12)26-19-15(11-23-26)18(27)17(21(29)25-19)20(28)24-16-6-4-3-5-14(16)22(30)31-2/h3-11H,1-2H3,(H,24,28)(H2,25,27,29)

InChI Key

IJOLBERABMHSAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27612152

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.768

Distribution Coefficient, logD

-3.982

Water Solubility, LogSw

-3.26

Polar Surface Area

97.705

Acid Dissociation Constant (pKa)

0.65

Base Dissociation Constant (pKb)

-2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with P684-3548 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P684-3548?
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What is the minimum amount of P684-3548 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P684-3548
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P684-3548
  • 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 P684-3548 available by request