G199-3714 Screening compound: 2-{[2-(4-ethoxyphenyl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(3-fluorophenyl)acetamide

G199-3714 Screening compound: 2-{[2-(4-ethoxyphenyl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(3-fluorophenyl)acetamide
G199-3714 Screening compound: 2-{[2-(4-ethoxyphenyl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(3-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G199-3714
2-{[2-(4-ethoxyphenyl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(3-fluorophenyl)acetamide

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

G199-3714

Molecular Formula

C21H18FN5O3S (C21 H18 FN5 O3 S)

Compound Name

2-{[2-(4-ethoxyphenyl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(3-fluorophenyl)acetamide

IUPAC name

2-{[2-(4-ethoxyphenyl)-7-oxo-6H7H-pyrazolo[15-a][135]triazin-4-yl]sulfanyl}-N-(3-fluorophenyl)acetamide

SMILES

CCOc(cc1)ccc1C(N=C(N1N2)SCC(Nc3cc(F)ccc3)=O)=NC1=CC2=O

InChI

InChI=1S/C21H18FN5O3S/c1-2-30-16-8-6-13(7-9-16)20-24-17-11-18(28)26-27(17)21(25-20)31-12-19(29)23-15-5-3-4-14(22)10-15/h3-11H,2,12H2,1H3,(H,23,29)(H,26,28)

InChI Key

QKKSXYKHQRNYAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14985176

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.246

Distribution Coefficient, logD

3.245

Water Solubility, LogSw

-3.46

Polar Surface Area

80.206

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with G199-3714 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G199-3714?
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What is the minimum amount of G199-3714 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G199-3714
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G199-3714
  • 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 G199-3714 available by request