S022-0250 Screening compound: ethyl 3-({[9-oxo-1,5,6,9-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-7(8H)-yl]carbonyl}amino)benzoate

S022-0250 Screening compound: ethyl 3-({[9-oxo-1,5,6,9-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-7(8H)-yl]carbonyl}amino)benzoate
S022-0250 Screening compound: ethyl 3-({[9-oxo-1,5,6,9-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-7(8H)-yl]carbonyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound S022-0250
ethyl 3-({[9-oxo-1,5,6,9-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-7(8H)-yl]carbonyl}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

S022-0250

Molecular Formula

C19H19N5O4 (C19 H19 N5 O4)

Compound Name

ethyl 3-({[9-oxo-1,5,6,9-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-7(8H)-yl]carbonyl}amino)benzoate

IUPAC name

ethyl 3-({8-oxo-26711-tetraazatricyclo[7.4.0.0^{37}]trideca-1(9)24-triene-11-carbonyl}amino)benzoate

SMILES

CCOC(c1cccc(NC(N(CC2)CC(C3=O)=C2N=C2N3NC=C2)=O)c1)=O

InChI

InChI=1S/C19H19N5O4/c1-2-28-18(26)12-4-3-5-13(10-12)21-19(27)23-9-7-15-14(11-23)17(25)24-16(22-15)6-8-20-24/h3-6,8,10,20H,2,7,9,11H2,1H3,(H,21,27)

InChI Key

PIKXYPBMDNINPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29029687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.050

Distribution Coefficient, logD

1.050

Water Solubility, LogSw

-2.25

Polar Surface Area

84.590

Acid Dissociation Constant (pKa)

13.19

Base Dissociation Constant (pKb)

-2.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

S022-0250 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S022-0250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S022-0250?
Check Price and Availability of S022-0250, 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 S022-0250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S022-0250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S022-0250
  • 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 S022-0250 available by request