S446-0078 Screening compound: 2-(1-oxo-1,7,8,9,10,11-hexahydro-2H-cyclohepta[3,4]pyrazolo[1,5-a]pyrazin-2-yl)-N~1~-phenylacetamide

S446-0078 Screening compound: 2-(1-oxo-1,7,8,9,10,11-hexahydro-2H-cyclohepta[3,4]pyrazolo[1,5-a]pyrazin-2-yl)-N~1~-phenylacetamide
S446-0078 Screening compound: 2-(1-oxo-1,7,8,9,10,11-hexahydro-2H-cyclohepta[3,4]pyrazolo[1,5-a]pyrazin-2-yl)-N~1~-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S446-0078
2-(1-oxo-1,7,8,9,10,11-hexahydro-2H-cyclohepta[3,4]pyrazolo[1,5-a]pyrazin-2-yl)-N~1~-phenylacetamide

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

S446-0078

Molecular Formula

C19H20N4O2 (C19 H20 N4 O2)

Compound Name

2-(1-oxo-1,7,8,9,10,11-hexahydro-2H-cyclohepta[3,4]pyrazolo[1,5-a]pyrazin-2-yl)-N~1~-phenylacetamide

IUPAC name

2-{3-oxo-478-triazatricyclo[7.5.0.0^{27}]tetradeca-158-trien-4-yl}-N-phenylacetamide

SMILES

O=C(CN(C=Cn1nc(CCCCC2)c2c11)C1=O)Nc1ccccc1

InChI

InChI=1S/C19H20N4O2/c24-17(20-14-7-3-1-4-8-14)13-22-11-12-23-18(19(22)25)15-9-5-2-6-10-16(15)21-23/h1,3-4,7-8,11-12H,2,5-6,9-10,13H2,(H,20,24)

InChI Key

AHAQHWAOLANRRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29006022

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.909

Distribution Coefficient, logD

1.909

Water Solubility, LogSw

-2.50

Polar Surface Area

52.920

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

S446-0078 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S446-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S446-0078?
Check Price and Availability of S446-0078, 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 S446-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S446-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S446-0078
  • 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 S446-0078 available by request