P590-0874 Screening compound: N~1~-(3-methoxybenzyl)-2-[4-oxo-2-(2-thienyl)pyrazolo[1,5-a]pyrido[3,2-e]pyrazin-5(4H)-yl]acetamide

P590-0874 Screening compound: N~1~-(3-methoxybenzyl)-2-[4-oxo-2-(2-thienyl)pyrazolo[1,5-a]pyrido[3,2-e]pyrazin-5(4H)-yl]acetamide
P590-0874 Screening compound: N~1~-(3-methoxybenzyl)-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 P590-0874
N~1~-(3-methoxybenzyl)-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

P590-0874

Molecular Formula

C23H19N5O3S (C23 H19 N5 O3 S)

Compound Name

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

IUPAC name

N-[(3-methoxyphenyl)methyl]-2-[7-oxo-4-(thiophen-2-yl)-23813-tetraazatricyclo[7.4.0.0^{26}]trideca-1(13)35911-pentaen-8-yl]acetamide

SMILES

COc1cccc(CNC(CN(c2cccnc2-n(c2c3)nc3-c3cccs3)C2=O)=O)c1

InChI

InChI=1S/C23H19N5O3S/c1-31-16-6-2-5-15(11-16)13-25-21(29)14-27-18-7-3-9-24-22(18)28-19(23(27)30)12-17(26-28)20-8-4-10-32-20/h2-12H,13-14H2,1H3,(H,25,29)

InChI Key

GTVKUTAIBZCDPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27605834

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.5

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

3.206

Distribution Coefficient, logD

3.206

Water Solubility, LogSw

-3.45

Polar Surface Area

70.798

Acid Dissociation Constant (pKa)

13.68

Base Dissociation Constant (pKb)

2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

P590-0874 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 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

References: we are preparing a list of scientific research reports with P590-0874 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P590-0874?
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What is the minimum amount of P590-0874 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P590-0874
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P590-0874
  • 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 P590-0874 available by request