S539-0034 Screening compound: 3-fluoro-N-{2-[2-(4-fluorophenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl}-4-methoxybenzamide

S539-0034 Screening compound: 3-fluoro-N-{2-[2-(4-fluorophenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl}-4-methoxybenzamide
S539-0034 Screening compound: 3-fluoro-N-{2-[2-(4-fluorophenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl}-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S539-0034
3-fluoro-N-{2-[2-(4-fluorophenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl}-4-methoxybenzamide

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

S539-0034

Molecular Formula

C22H18F2N4O3 (C22 H18 F2 N4 O3)

Compound Name

3-fluoro-N-{2-[2-(4-fluorophenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl}-4-methoxybenzamide

IUPAC name

3-fluoro-N-{2-[2-(4-fluorophenyl)-4-oxo-4H5H-pyrazolo[15-a]pyrazin-5-yl]ethyl}-4-methoxybenzamide

SMILES

COc(ccc(C(NCCN(C=Cn(c1c2)nc2-c(cc2)ccc2F)C1=O)=O)c1)c1F

InChI

InChI=1S/C22H18F2N4O3/c1-31-20-7-4-15(12-17(20)24)21(29)25-8-9-27-10-11-28-19(22(27)30)13-18(26-28)14-2-5-16(23)6-3-14/h2-7,10-13H,8-9H2,1H3,(H,25,29)

InChI Key

BRNRZVRHGFVIPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29008921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.228

Distribution Coefficient, logD

2.228

Water Solubility, LogSw

-2.87

Polar Surface Area

60.106

Acid Dissociation Constant (pKa)

13.15

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with S539-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S539-0034?
Check Price and Availability of S539-0034, 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 S539-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S539-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S539-0034
  • 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 S539-0034 available by request