S539-0534 Screening compound: 2-(2-chlorophenyl)-N-{2-[2-(2,5-dimethylphenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl}acetamide

S539-0534 Screening compound: 2-(2-chlorophenyl)-N-{2-[2-(2,5-dimethylphenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl}acetamide
S539-0534 Screening compound: 2-(2-chlorophenyl)-N-{2-[2-(2,5-dimethylphenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S539-0534
2-(2-chlorophenyl)-N-{2-[2-(2,5-dimethylphenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl}acetamide

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

S539-0534

Molecular Formula

C24H23ClN4O2 (C24 H23 ClN4 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(-c2nn(C=CN(CCNC(Cc(cccc3)c3Cl)=O)C3=O)c3c2)c(C)cc1

InChI

InChI=1S/C24H23ClN4O2/c1-16-7-8-17(2)19(13-16)21-15-22-24(31)28(11-12-29(22)27-21)10-9-26-23(30)14-18-5-3-4-6-20(18)25/h3-8,11-13,15H,9-10,14H2,1-2H3,(H,26,30)

InChI Key

FDEKCPUPGZDAFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29009002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.93

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.276

Distribution Coefficient, logD

3.276

Water Solubility, LogSw

-3.60

Polar Surface Area

52.262

Acid Dissociation Constant (pKa)

14.63

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with S539-0534 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S539-0534?
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What is the minimum amount of S539-0534 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S539-0534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S539-0534
  • 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 S539-0534 available by request