P684-2176 Screening compound: 1-benzyl-4-hydroxy-N-(3-methylphenyl)-6-oxo-1H,6H,7H-pyrazolo[3,4-b]pyridine-5-carboxamide

P684-2176 Screening compound: 1-benzyl-4-hydroxy-N-(3-methylphenyl)-6-oxo-1H,6H,7H-pyrazolo[3,4-b]pyridine-5-carboxamide
P684-2176 Screening compound: 1-benzyl-4-hydroxy-N-(3-methylphenyl)-6-oxo-1H,6H,7H-pyrazolo[3,4-b]pyridine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P684-2176
1-benzyl-4-hydroxy-N-(3-methylphenyl)-6-oxo-1H,6H,7H-pyrazolo[3,4-b]pyridine-5-carboxamide

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

P684-2176

Molecular Formula

C21H18N4O3 (C21 H18 N4 O3)

Compound Name

1-benzyl-4-hydroxy-N-(3-methylphenyl)-6-oxo-1H,6H,7H-pyrazolo[3,4-b]pyridine-5-carboxamide

IUPAC name

1-benzyl-4-hydroxy-N-(3-methylphenyl)-6-oxo-1H6H7H-pyrazolo[34-b]pyridine-5-carboxamide

SMILES

Cc1cccc(NC(C(C(Nc2c3cnn2Cc2ccccc2)=O)=C3O)=O)c1

InChI

InChI=1S/C21H18N4O3/c1-13-6-5-9-15(10-13)23-20(27)17-18(26)16-11-22-25(19(16)24-21(17)28)12-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,23,27)(H2,24,26,28)

InChI Key

ZQEFBAPTFIXDKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27612023

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.540

Distribution Coefficient, logD

-2.119

Water Solubility, LogSw

-3.02

Polar Surface Area

77.093

Acid Dissociation Constant (pKa)

2.74

Base Dissociation Constant (pKb)

0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with P684-2176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P684-2176?
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What is the minimum amount of P684-2176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P684-2176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P684-2176
  • 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 P684-2176 available by request