F424-0751 Screening compound: ethyl 2-(2-{[4-oxo-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamido)benzoate

F424-0751 Screening compound: ethyl 2-(2-{[4-oxo-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamido)benzoate
F424-0751 Screening compound: ethyl 2-(2-{[4-oxo-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F424-0751
ethyl 2-(2-{[4-oxo-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamido)benzoate

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

F424-0751

Molecular Formula

C20H17N5O4S2 (C20 H17 N5 O4 S2)

Compound Name

ethyl 2-(2-{[4-oxo-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamido)benzoate

IUPAC name

ethyl 2-(2-{[4-oxo-2-(thiophen-2-yl)-4H5H-pyrazolo[15-d][124]triazin-7-yl]sulfanyl}acetamido)benzoate

SMILES

CCOC(c(cccc1)c1NC(CSC(n(c1c2)nc2-c2cccs2)=NNC1=O)=O)=O

InChI

InChI=1S/C20H17N5O4S2/c1-2-29-19(28)12-6-3-4-7-13(12)21-17(26)11-31-20-23-22-18(27)15-10-14(24-25(15)20)16-8-5-9-30-16/h3-10H,2,11H2,1H3,(H,21,26)(H,22,27)

InChI Key

CSLZJQRQNQZEKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27126921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.419

Distribution Coefficient, logD

3.407

Water Solubility, LogSw

-3.76

Polar Surface Area

95.538

Acid Dissociation Constant (pKa)

8.96

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

F424-0751 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with F424-0751 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F424-0751?
Check Price and Availability of F424-0751, 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 F424-0751 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F424-0751
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F424-0751
  • 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 F424-0751 available by request