G199-3696 Screening compound: ethyl 4-(2-{[2-(4-ethoxyphenyl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamido)benzoate

G199-3696 Screening compound: ethyl 4-(2-{[2-(4-ethoxyphenyl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamido)benzoate
G199-3696 Screening compound: ethyl 4-(2-{[2-(4-ethoxyphenyl)-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 G199-3696
ethyl 4-(2-{[2-(4-ethoxyphenyl)-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

G199-3696

Molecular Formula

C24H23N5O5S (C24 H23 N5 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1NC(CSC(N1N2)=NC(c(cc3)ccc3OCC)=NC1=CC2=O)=O)=O

InChI

InChI=1S/C24H23N5O5S/c1-3-33-18-11-7-15(8-12-18)22-26-19-13-20(30)28-29(19)24(27-22)35-14-21(31)25-17-9-5-16(6-10-17)23(32)34-4-2/h5-13H,3-4,14H2,1-2H3,(H,25,31)(H,28,30)

InChI Key

NROSPUHFPMVJMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14985163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.694

Distribution Coefficient, logD

3.694

Water Solubility, LogSw

-3.81

Polar Surface Area

100.960

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

G199-3696 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G199-3696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G199-3696?
Check Price and Availability of G199-3696, 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 G199-3696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G199-3696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G199-3696
  • 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 G199-3696 available by request