G199-3130 Screening compound: 2-{[2-(4-chlorophenyl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide

G199-3130 Screening compound: 2-{[2-(4-chlorophenyl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
G199-3130 Screening compound: 2-{[2-(4-chlorophenyl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G199-3130
2-{[2-(4-chlorophenyl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]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

G199-3130

Molecular Formula

C18H18ClN5O3S (C18 H18 ClN5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSC(N1N2)=NC(c(cc3)ccc3Cl)=NC1=CC2=O)NCC1OCCC1

InChI

InChI=1S/C18H18ClN5O3S/c19-12-5-3-11(4-6-12)17-21-14-8-15(25)23-24(14)18(22-17)28-10-16(26)20-9-13-2-1-7-27-13/h3-6,8,13H,1-2,7,9-10H2,(H,20,26)(H,23,25)/t13-/m1/s1

InChI Key

QPLGOBYVDBGYEW-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD14985025

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.89

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

1.455

Distribution Coefficient, logD

1.455

Water Solubility, LogSw

-2.81

Polar Surface Area

83.059

Acid Dissociation Constant (pKa)

13.28

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with G199-3130 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 G199-3130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G199-3130
  • 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 G199-3130 available by request