P684-3453 Screening compound: N-(3-chlorophenyl)-1-(4-fluorophenyl)-4-hydroxy-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

P684-3453 Screening compound: N-(3-chlorophenyl)-1-(4-fluorophenyl)-4-hydroxy-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
P684-3453 Screening compound: N-(3-chlorophenyl)-1-(4-fluorophenyl)-4-hydroxy-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P684-3453
N-(3-chlorophenyl)-1-(4-fluorophenyl)-4-hydroxy-6-oxo-6,7-dihydro-1H-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

P684-3453

Molecular Formula

C19H12ClFN4O3 (C19 H12 ClFN4 O3)

Compound Name

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

IUPAC name

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

SMILES

OC(c1c(N2)n(-c(cc3)ccc3F)nc1)=C(C(Nc1cccc(Cl)c1)=O)C2=O

InChI

InChI=1S/C19H12ClFN4O3/c20-10-2-1-3-12(8-10)23-18(27)15-16(26)14-9-22-25(17(14)24-19(15)28)13-6-4-11(21)5-7-13/h1-9H,(H,23,27)(H2,24,26,28)

InChI Key

OIQWVGSENGREKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27612128

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.78

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.204

Distribution Coefficient, logD

-3.545

Water Solubility, LogSw

-3.67

Polar Surface Area

77.229

Acid Dissociation Constant (pKa)

0.65

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with P684-3453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P684-3453?
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What is the minimum amount of P684-3453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P684-3453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P684-3453
  • 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 P684-3453 available by request