S335-0413 Screening compound: 7-{[(2,5-difluorophenyl)methyl]amino}-2-(4-methylphenyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-4-one

S335-0413 Screening compound: 7-{[(2,5-difluorophenyl)methyl]amino}-2-(4-methylphenyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-4-one
S335-0413 Screening compound: 7-{[(2,5-difluorophenyl)methyl]amino}-2-(4-methylphenyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S335-0413
7-{[(2,5-difluorophenyl)methyl]amino}-2-(4-methylphenyl)-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

S335-0413

Molecular Formula

C20H18F2N4O (C20 H18 F2 N4 O)

Compound Name

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

IUPAC name

7-{[(25-difluorophenyl)methyl]amino}-2-(4-methylphenyl)-4H5H6H7H-pyrazolo[15-a]pyrazin-4-one

SMILES

Cc(cc1)ccc1-c1nn(C(CNC2=O)NCc(cc(cc3)F)c3F)c2c1

InChI

InChI=1S/C20H18F2N4O/c1-12-2-4-13(5-3-12)17-9-18-20(27)24-11-19(26(18)25-17)23-10-14-8-15(21)6-7-16(14)22/h2-9,19,23H,10-11H2,1H3,(H,24,27)/t19-/m0/s1

InChI Key

WSJGVIGTVNUEQP-IBGZPJMESA-N

MDL Number (MFCD)

MFCD28998067

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.436

Distribution Coefficient, logD

3.435

Water Solubility, LogSw

-3.58

Polar Surface Area

47.937

Acid Dissociation Constant (pKa)

13.83

Base Dissociation Constant (pKb)

4.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

S335-0413 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • 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 S335-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S335-0413?
Check Price and Availability of S335-0413, 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 S335-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S335-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S335-0413
  • 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 S335-0413 available by request