S539-1079 Screening compound: N-{2-[2-(3-methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl}pyridine-2-carboxamide

S539-1079 Screening compound: N-{2-[2-(3-methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl}pyridine-2-carboxamide
S539-1079 Screening compound: N-{2-[2-(3-methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl}pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S539-1079
N-{2-[2-(3-methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl}pyridine-2-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

S539-1079

Molecular Formula

C21H19N5O3 (C21 H19 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(-c2nn(C=CN(CCNC(c3ncccc3)=O)C3=O)c3c2)c1

InChI

InChI=1S/C21H19N5O3/c1-29-16-6-4-5-15(13-16)18-14-19-21(28)25(11-12-26(19)24-18)10-9-23-20(27)17-7-2-3-8-22-17/h2-8,11-14H,9-10H2,1H3,(H,23,27)

InChI Key

BKGZVLDGCPESOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29009959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.233

Distribution Coefficient, logD

1.233

Water Solubility, LogSw

-1.91

Polar Surface Area

69.067

Acid Dissociation Constant (pKa)

13.60

Base Dissociation Constant (pKb)

1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

S539-1079 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 S539-1079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S539-1079?
Check Price and Availability of S539-1079, 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 S539-1079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S539-1079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S539-1079
  • 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 S539-1079 available by request