G199-1715 Screening compound: 2-(4-tert-butylphenyl)-4-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-7-one

G199-1715 Screening compound: 2-(4-tert-butylphenyl)-4-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-7-one
G199-1715 Screening compound: 2-(4-tert-butylphenyl)-4-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G199-1715
2-(4-tert-butylphenyl)-4-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-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

G199-1715

Molecular Formula

C25H28N4O3S (C25 H28 N4 O3 S)

Compound Name

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

IUPAC name

2-(4-tert-butylphenyl)-4-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-6H7H-pyrazolo[15-a][135]triazin-7-one

SMILES

CC(C)(C)c(cc1)ccc1C(N=C(N1N2)SCCOc(ccc(C)c3)c3OC)=NC1=CC2=O

InChI

InChI=1S/C25H28N4O3S/c1-16-6-11-19(20(14-16)31-5)32-12-13-33-24-27-23(26-21-15-22(30)28-29(21)24)17-7-9-18(10-8-17)25(2,3)4/h6-11,14-15H,12-13H2,1-5H3,(H,28,30)

InChI Key

RQBZFBMAMTVYPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14984808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.129

Distribution Coefficient, logD

5.129

Water Solubility, LogSw

-4.99

Polar Surface Area

65.068

Acid Dissociation Constant (pKa)

13.04

Base Dissociation Constant (pKb)

1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with G199-1715 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G199-1715
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G199-1715
  • 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 G199-1715 available by request