S539-1116 Screening compound: N-{2-[2-(3-methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl}-3,4-dimethylbenzamide

S539-1116 Screening compound: N-{2-[2-(3-methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl}-3,4-dimethylbenzamide
S539-1116 Screening compound: N-{2-[2-(3-methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl}-3,4-dimethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S539-1116
N-{2-[2-(3-methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl}-3,4-dimethylbenzamide

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

S539-1116

Molecular Formula

C24H24N4O3 (C24 H24 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)c(C)cc1C(NCCN(C=Cn(c1c2)nc2-c2cc(OC)ccc2)C1=O)=O

InChI

InChI=1S/C24H24N4O3/c1-16-7-8-19(13-17(16)2)23(29)25-9-10-27-11-12-28-22(24(27)30)15-21(26-28)18-5-4-6-20(14-18)31-3/h4-8,11-15H,9-10H2,1-3H3,(H,25,29)

InChI Key

KZIYLBORPLAOAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29012732

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.013

Distribution Coefficient, logD

3.013

Water Solubility, LogSw

-3.20

Polar Surface Area

60.019

Acid Dissociation Constant (pKa)

13.10

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 S539-1116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S539-1116?
Check Price and Availability of S539-1116, 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 S539-1116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S539-1116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S539-1116
  • 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 S539-1116 available by request