P590-0378 Screening compound: methyl 4-({2-[2-methyl-4-oxopyrazolo[1,5-a]pyrido[3,2-e]pyrazin-5(4H)-yl]acetyl}amino)benzoate

P590-0378 Screening compound: methyl 4-({2-[2-methyl-4-oxopyrazolo[1,5-a]pyrido[3,2-e]pyrazin-5(4H)-yl]acetyl}amino)benzoate
P590-0378 Screening compound: methyl 4-({2-[2-methyl-4-oxopyrazolo[1,5-a]pyrido[3,2-e]pyrazin-5(4H)-yl]acetyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound P590-0378
methyl 4-({2-[2-methyl-4-oxopyrazolo[1,5-a]pyrido[3,2-e]pyrazin-5(4H)-yl]acetyl}amino)benzoate

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

P590-0378

Molecular Formula

C20H17N5O4 (C20 H17 N5 O4)

Compound Name

methyl 4-({2-[2-methyl-4-oxopyrazolo[1,5-a]pyrido[3,2-e]pyrazin-5(4H)-yl]acetyl}amino)benzoate

IUPAC name

methyl 4-(2-{4-methyl-7-oxo-23813-tetraazatricyclo[7.4.0.0^{26}]trideca-1(13)35911-pentaen-8-yl}acetamido)benzoate

SMILES

Cc(cc12)nn1-c(nccc1)c1N(CC(Nc(cc1)ccc1C(OC)=O)=O)C2=O

InChI

InChI=1S/C20H17N5O4/c1-12-10-16-19(27)24(15-4-3-9-21-18(15)25(16)23-12)11-17(26)22-14-7-5-13(6-8-14)20(28)29-2/h3-10H,11H2,1-2H3,(H,22,26)

InChI Key

KNHITFCKPKLNBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27605748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.785

Distribution Coefficient, logD

1.784

Water Solubility, LogSw

-2.22

Polar Surface Area

82.165

Acid Dissociation Constant (pKa)

11.00

Base Dissociation Constant (pKb)

4.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

P590-0378 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

SH2 Library (10483 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
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with P590-0378 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P590-0378?
Check Price and Availability of P590-0378, 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 P590-0378 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P590-0378
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P590-0378
  • 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 P590-0378 available by request