G199-3165 Screening compound: ethyl 4-(2-{[2-(2-fluorophenyl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamido)benzoate

G199-3165 Screening compound: ethyl 4-(2-{[2-(2-fluorophenyl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamido)benzoate
G199-3165 Screening compound: ethyl 4-(2-{[2-(2-fluorophenyl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G199-3165
ethyl 4-(2-{[2-(2-fluorophenyl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-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

G199-3165

Molecular Formula

C22H18FN5O4S (C22 H18 FN5 O4 S)

Compound Name

ethyl 4-(2-{[2-(2-fluorophenyl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamido)benzoate

IUPAC name

ethyl 4-(2-{[2-(2-fluorophenyl)-7-oxo-6H7H-pyrazolo[15-a][135]triazin-4-yl]sulfanyl}acetamido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(CSC(N1N2)=NC(c(cccc3)c3F)=NC1=CC2=O)=O)=O

InChI

InChI=1S/C22H18FN5O4S/c1-2-32-21(31)13-7-9-14(10-8-13)24-19(30)12-33-22-26-20(15-5-3-4-6-16(15)23)25-17-11-18(29)27-28(17)22/h3-11H,2,12H2,1H3,(H,24,30)(H,27,29)

InChI Key

SIWWPWVGZLVGKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14985037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.48

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

3.246

Distribution Coefficient, logD

3.246

Water Solubility, LogSw

-3.63

Polar Surface Area

93.836

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with G199-3165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G199-3165?
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What is the minimum amount of G199-3165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G199-3165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G199-3165
  • 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 G199-3165 available by request