P684-3317 Screening compound: N~5~-(1,3-benzodioxol-5-ylmethyl)-4-hydroxy-1-(3-methylphenyl)-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

P684-3317 Screening compound: N~5~-(1,3-benzodioxol-5-ylmethyl)-4-hydroxy-1-(3-methylphenyl)-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
P684-3317 Screening compound: N~5~-(1,3-benzodioxol-5-ylmethyl)-4-hydroxy-1-(3-methylphenyl)-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P684-3317
N~5~-(1,3-benzodioxol-5-ylmethyl)-4-hydroxy-1-(3-methylphenyl)-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

P684-3317

Molecular Formula

C22H18N4O5 (C22 H18 N4 O5)

Compound Name

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

IUPAC name

n/a

SMILES

Cc1cccc(-n2ncc(C(O)=C3C(NCc(cc4)cc5c4OCO5)=O)c2NC3=O)c1

InChI

InChI=1S/C22H18N4O5/c1-12-3-2-4-14(7-12)26-20-15(10-24-26)19(27)18(22(29)25-20)21(28)23-9-13-5-6-16-17(8-13)31-11-30-16/h2-8,10H,9,11H2,1H3,(H,23,28)(H2,25,27,29)

InChI Key

PAGUXKJABRAEHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27612092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.529

Distribution Coefficient, logD

-2.543

Water Solubility, LogSw

-2.85

Polar Surface Area

95.666

Acid Dissociation Constant (pKa)

2.33

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

P684-3317 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with P684-3317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P684-3317?
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What is the minimum amount of P684-3317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P684-3317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P684-3317
  • 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 P684-3317 available by request