S335-0097 Screening compound: 7-{[(2,4-difluorophenyl)methyl]amino}-2-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-4-one

S335-0097 Screening compound: 7-{[(2,4-difluorophenyl)methyl]amino}-2-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-4-one
S335-0097 Screening compound: 7-{[(2,4-difluorophenyl)methyl]amino}-2-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S335-0097
7-{[(2,4-difluorophenyl)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

S335-0097

Molecular Formula

C19H16F2N4O (C19 H16 F2 N4 O)

Compound Name

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

IUPAC name

7-{[(24-difluorophenyl)methyl]amino}-2-phenyl-4H5H6H7H-pyrazolo[15-a]pyrazin-4-one

SMILES

O=C(c1c2)NCC(NCc(ccc(F)c3)c3F)n1nc2-c1ccccc1

InChI

InChI=1S/C19H16F2N4O/c20-14-7-6-13(15(21)8-14)10-22-18-11-23-19(26)17-9-16(24-25(17)18)12-4-2-1-3-5-12/h1-9,18,22H,10-11H2,(H,23,26)/t18-/m0/s1

InChI Key

ZTDLBBVZPPFBLO-SFHVURJKSA-N

MDL Number (MFCD)

MFCD29011419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.36

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

2.740

Distribution Coefficient, logD

2.740

Water Solubility, LogSw

-3.23

Polar Surface Area

47.937

Acid Dissociation Constant (pKa)

13.83

Base Dissociation Constant (pKb)

4.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

S335-0097 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S335-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S335-0097?
Check Price and Availability of S335-0097, 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 S335-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S335-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S335-0097
  • 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 S335-0097 available by request