P590-0492 Screening compound: N~1~-(4-methoxyphenyl)-2-[4-oxo-2-(2-thienyl)pyrazolo[1,5-a]pyrido[3,2-e]pyrazin-5(4H)-yl]acetamide

P590-0492 Screening compound: N~1~-(4-methoxyphenyl)-2-[4-oxo-2-(2-thienyl)pyrazolo[1,5-a]pyrido[3,2-e]pyrazin-5(4H)-yl]acetamide
P590-0492 Screening compound: N~1~-(4-methoxyphenyl)-2-[4-oxo-2-(2-thienyl)pyrazolo[1,5-a]pyrido[3,2-e]pyrazin-5(4H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P590-0492
N~1~-(4-methoxyphenyl)-2-[4-oxo-2-(2-thienyl)pyrazolo[1,5-a]pyrido[3,2-e]pyrazin-5(4H)-yl]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

P590-0492

Molecular Formula

C22H17N5O3S (C22 H17 N5 O3 S)

Compound Name

N~1~-(4-methoxyphenyl)-2-[4-oxo-2-(2-thienyl)pyrazolo[1,5-a]pyrido[3,2-e]pyrazin-5(4H)-yl]acetamide

IUPAC name

N-(4-methoxyphenyl)-2-[7-oxo-4-(thiophen-2-yl)-23813-tetraazatricyclo[7.4.0.0^{26}]trideca-1(13)35911-pentaen-8-yl]acetamide

SMILES

COc(cc1)ccc1NC(CN(c1cccnc1-n(c1c2)nc2-c2cccs2)C1=O)=O

InChI

InChI=1S/C22H17N5O3S/c1-30-15-8-6-14(7-9-15)24-20(28)13-26-17-4-2-10-23-21(17)27-18(22(26)29)12-16(25-27)19-5-3-11-31-19/h2-12H,13H2,1H3,(H,24,28)

InChI Key

ZQBIWBSCUYKACJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27605787

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.513

Distribution Coefficient, logD

3.513

Water Solubility, LogSw

-3.93

Polar Surface Area

69.475

Acid Dissociation Constant (pKa)

12.36

Base Dissociation Constant (pKb)

2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

P590-0492 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiviral Library (67538 compounds)

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

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with P590-0492 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P590-0492?
Check Price and Availability of P590-0492, 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 P590-0492 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P590-0492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P590-0492
  • 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 P590-0492 available by request