S335-0086 Screening compound: 7-{[(3-ethoxyphenyl)methyl]amino}-2-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-4-one

S335-0086 Screening compound: 7-{[(3-ethoxyphenyl)methyl]amino}-2-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-4-one
S335-0086 Screening compound: 7-{[(3-ethoxyphenyl)methyl]amino}-2-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S335-0086
7-{[(3-ethoxyphenyl)methyl]amino}-2-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-4-one

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

S335-0086

Molecular Formula

C21H22N4O2 (C21 H22 N4 O2)

Compound Name

7-{[(3-ethoxyphenyl)methyl]amino}-2-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-4-one

IUPAC name

7-{[(3-ethoxyphenyl)methyl]amino}-2-phenyl-4H5H6H7H-pyrazolo[15-a]pyrazin-4-one

SMILES

CCOc1cccc(CNC(CNC(c2c3)=O)n2nc3-c2ccccc2)c1

InChI

InChI=1S/C21H22N4O2/c1-2-27-17-10-6-7-15(11-17)13-22-20-14-23-21(26)19-12-18(24-25(19)20)16-8-4-3-5-9-16/h3-12,20,22H,2,13-14H2,1H3,(H,23,26)/t20-/m1/s1

InChI Key

BHEITNNJYLLWMI-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD28998051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.698

Distribution Coefficient, logD

2.592

Water Solubility, LogSw

-3.06

Polar Surface Area

55.061

Acid Dissociation Constant (pKa)

13.83

Base Dissociation Constant (pKb)

6.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

S335-0086 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with S335-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S335-0086?
Check Price and Availability of S335-0086, 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 S335-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S335-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S335-0086
  • 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 S335-0086 available by request