S335-0411 Screening compound: 2-(4-methylphenyl)-7-{[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]amino}-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-4-one

S335-0411 Screening compound: 2-(4-methylphenyl)-7-{[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]amino}-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-4-one
S335-0411 Screening compound: 2-(4-methylphenyl)-7-{[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]amino}-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S335-0411
2-(4-methylphenyl)-7-{[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]amino}-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

S335-0411

Molecular Formula

C25H29N5O (C25 H29 N5 O)

Compound Name

2-(4-methylphenyl)-7-{[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]amino}-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-4-one

IUPAC name

2-(4-methylphenyl)-7-{[3-(1234-tetrahydroisoquinolin-2-yl)propyl]amino}-4H5H6H7H-pyrazolo[15-a]pyrazin-4-one

SMILES

Cc(cc1)ccc1-c1nn(C(CNC2=O)NCCCN(CC3)Cc4c3cccc4)c2c1

InChI

InChI=1S/C25H29N5O/c1-18-7-9-20(10-8-18)22-15-23-25(31)27-16-24(30(23)28-22)26-12-4-13-29-14-11-19-5-2-3-6-21(19)17-29/h2-3,5-10,15,24,26H,4,11-14,16-17H2,1H3,(H,27,31)/t24-/m1/s1

InChI Key

UGKMAIKMZKGZPJ-XMMPIXPASA-N

MDL Number (MFCD)

MFCD28998066

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.54

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

3.307

Distribution Coefficient, logD

2.649

Water Solubility, LogSw

-3.45

Polar Surface Area

51.423

Acid Dissociation Constant (pKa)

13.83

Base Dissociation Constant (pKb)

7.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

S335-0411 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Inhibitors of beta-Catenin Signaling (7445 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 S335-0411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S335-0411?
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What is the minimum amount of S335-0411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S335-0411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S335-0411
  • 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 S335-0411 available by request