S539-1123 Screening compound: 3,4-difluoro-N-{2-[2-(3-methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl}benzamide

S539-1123 Screening compound: 3,4-difluoro-N-{2-[2-(3-methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl}benzamide
S539-1123 Screening compound: 3,4-difluoro-N-{2-[2-(3-methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S539-1123
3,4-difluoro-N-{2-[2-(3-methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl}benzamide

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

S539-1123

Molecular Formula

C22H18F2N4O3 (C22 H18 F2 N4 O3)

Compound Name

3,4-difluoro-N-{2-[2-(3-methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl}benzamide

IUPAC name

34-difluoro-N-{2-[2-(3-methoxyphenyl)-4-oxo-4H5H-pyrazolo[15-a]pyrazin-5-yl]ethyl}benzamide

SMILES

COc1cccc(-c2nn(C=CN(CCNC(c(cc3)cc(F)c3F)=O)C3=O)c3c2)c1

InChI

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

InChI Key

ZZERCSCANFGBJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29009974

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

2.403

Distribution Coefficient, logD

2.403

Water Solubility, LogSw

-2.86

Polar Surface Area

60.019

Acid Dissociation Constant (pKa)

11.90

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 S539-1123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S539-1123?
Check Price and Availability of S539-1123, 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 S539-1123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S539-1123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S539-1123
  • 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 S539-1123 available by request