S539-0567 Screening compound: N-{2-[2-(2,5-dimethylphenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl}-3,4-dimethoxybenzamide

S539-0567 Screening compound: N-{2-[2-(2,5-dimethylphenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl}-3,4-dimethoxybenzamide
S539-0567 Screening compound: N-{2-[2-(2,5-dimethylphenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl}-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S539-0567
N-{2-[2-(2,5-dimethylphenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl}-3,4-dimethoxybenzamide

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

S539-0567

Molecular Formula

C25H26N4O4 (C25 H26 N4 O4)

Compound Name

N-{2-[2-(2,5-dimethylphenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl}-3,4-dimethoxybenzamide

IUPAC name

N-{2-[2-(25-dimethylphenyl)-4-oxo-4H5H-pyrazolo[15-a]pyrazin-5-yl]ethyl}-34-dimethoxybenzamide

SMILES

Cc1cc(-c2nn(C=CN(CCNC(c(cc3)cc(OC)c3OC)=O)C3=O)c3c2)c(C)cc1

InChI

InChI=1S/C25H26N4O4/c1-16-5-6-17(2)19(13-16)20-15-21-25(31)28(11-12-29(21)27-20)10-9-26-24(30)18-7-8-22(32-3)23(14-18)33-4/h5-8,11-15H,9-10H2,1-4H3,(H,26,30)

InChI Key

LGEXDBDMNSCCOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29009012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.314

Distribution Coefficient, logD

2.314

Water Solubility, LogSw

-2.83

Polar Surface Area

67.736

Acid Dissociation Constant (pKa)

14.65

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with S539-0567 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S539-0567?
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What is the minimum amount of S539-0567 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S539-0567
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S539-0567
  • 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 S539-0567 available by request