G199-1120 Screening compound: 4-{[2-(4-chloro-2-methylphenoxy)ethyl]sulfanyl}-2-(3-fluorophenyl)-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-7-one

G199-1120 Screening compound: 4-{[2-(4-chloro-2-methylphenoxy)ethyl]sulfanyl}-2-(3-fluorophenyl)-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-7-one
G199-1120 Screening compound: 4-{[2-(4-chloro-2-methylphenoxy)ethyl]sulfanyl}-2-(3-fluorophenyl)-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G199-1120
4-{[2-(4-chloro-2-methylphenoxy)ethyl]sulfanyl}-2-(3-fluorophenyl)-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-7-one

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

G199-1120

Molecular Formula

C20H16ClFN4O2S (C20 H16 ClFN4 O2 S)

Compound Name

4-{[2-(4-chloro-2-methylphenoxy)ethyl]sulfanyl}-2-(3-fluorophenyl)-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-7-one

IUPAC name

4-{[2-(4-chloro-2-methylphenoxy)ethyl]sulfanyl}-2-(3-fluorophenyl)-6H7H-pyrazolo[15-a][135]triazin-7-one

SMILES

Cc(cc(cc1)Cl)c1OCCSC(N1N2)=NC(c3cc(F)ccc3)=NC1=CC2=O

InChI

InChI=1S/C20H16ClFN4O2S/c1-12-9-14(21)5-6-16(12)28-7-8-29-20-24-19(13-3-2-4-15(22)10-13)23-17-11-18(27)25-26(17)20/h2-6,9-11H,7-8H2,1H3,(H,25,27)

InChI Key

PNOPEZNCVGEHKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14984661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.843

Distribution Coefficient, logD

4.843

Water Solubility, LogSw

-4.89

Polar Surface Area

57.437

Acid Dissociation Constant (pKa)

13.04

Base Dissociation Constant (pKb)

1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with G199-1120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G199-1120?
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What is the minimum amount of G199-1120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G199-1120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G199-1120
  • 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 G199-1120 available by request