S539-0629 Screening compound: N-{2-[2-(3,4-dimethylphenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl}-2-(3-fluorophenyl)acetamide

S539-0629 Screening compound: N-{2-[2-(3,4-dimethylphenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl}-2-(3-fluorophenyl)acetamide
S539-0629 Screening compound: N-{2-[2-(3,4-dimethylphenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl}-2-(3-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S539-0629
N-{2-[2-(3,4-dimethylphenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl}-2-(3-fluorophenyl)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

S539-0629

Molecular Formula

C24H23FN4O2 (C24 H23 FN4 O2)

Compound Name

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

IUPAC name

N-{2-[2-(34-dimethylphenyl)-4-oxo-4H5H-pyrazolo[15-a]pyrazin-5-yl]ethyl}-2-(3-fluorophenyl)acetamide

SMILES

Cc(cc1)c(C)cc1-c1nn(C=CN(CCNC(Cc2cccc(F)c2)=O)C2=O)c2c1

InChI

InChI=1S/C24H23FN4O2/c1-16-6-7-19(12-17(16)2)21-15-22-24(31)28(10-11-29(22)27-21)9-8-26-23(30)14-18-4-3-5-20(25)13-18/h3-7,10-13,15H,8-9,14H2,1-2H3,(H,26,30)

InChI Key

CSPAIHOOFBZXEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29009125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.47

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

2.845

Distribution Coefficient, logD

2.845

Water Solubility, LogSw

-3.12

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

S539-0629 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S539-0629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S539-0629?
Check Price and Availability of S539-0629, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S539-0629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S539-0629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S539-0629
  • 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 S539-0629 available by request