G199-3485 Screening compound: N-[(2-chlorophenyl)methyl]-2-{[2-(furan-2-yl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide

G199-3485 Screening compound: N-[(2-chlorophenyl)methyl]-2-{[2-(furan-2-yl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
G199-3485 Screening compound: N-[(2-chlorophenyl)methyl]-2-{[2-(furan-2-yl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G199-3485
N-[(2-chlorophenyl)methyl]-2-{[2-(furan-2-yl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}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

G199-3485

Molecular Formula

C18H14ClN5O3S (C18 H14 ClN5 O3 S)

Compound Name

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

IUPAC name

N-[(2-chlorophenyl)methyl]-2-{[2-(furan-2-yl)-7-oxo-6H7H-pyrazolo[15-a][135]triazin-4-yl]sulfanyl}acetamide

SMILES

O=C(CSC(N1N2)=NC(c3ccco3)=NC1=CC2=O)NCc(cccc1)c1Cl

InChI

InChI=1S/C18H14ClN5O3S/c19-12-5-2-1-4-11(12)9-20-16(26)10-28-18-22-17(13-6-3-7-27-13)21-14-8-15(25)23-24(14)18/h1-8H,9-10H2,(H,20,26)(H,23,25)

InChI Key

VJMGFUDQNIKFEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14985094

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.86

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.286

Distribution Coefficient, logD

2.286

Water Solubility, LogSw

-3.04

Polar Surface Area

82.983

Acid Dissociation Constant (pKa)

13.43

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with G199-3485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G199-3485?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G199-3485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G199-3485
  • 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 G199-3485 available by request