G199-0976 Screening compound: 4-[({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-2-(2-fluorophenyl)-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-7-one

G199-0976 Screening compound: 4-[({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-2-(2-fluorophenyl)-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-7-one
G199-0976 Screening compound: 4-[({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-2-(2-fluorophenyl)-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G199-0976
4-[({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-2-(2-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

G199-0976

Molecular Formula

C19H14FN7O2S2 (C19 H14 FN7 O2 S2)

Compound Name

4-[({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-2-(2-fluorophenyl)-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-7-one

IUPAC name

4-[({2-ethyl-5-oxo-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl}methyl)sulfanyl]-2-(2-fluorophenyl)-6H7H-pyrazolo[15-a][135]triazin-7-one

SMILES

CCC(SC1=NC(CSC(N2N3)=NC(c(cccc4)c4F)=NC2=CC3=O)=C2)=NN1C2=O

InChI

InChI=1S/C19H14FN7O2S2/c1-2-15-25-27-16(29)7-10(21-19(27)31-15)9-30-18-23-17(11-5-3-4-6-12(11)20)22-13-8-14(28)24-26(13)18/h3-8H,2,9H2,1H3,(H,24,28)

InChI Key

VKCGKSPNBHWQIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14984615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.426

Distribution Coefficient, logD

2.423

Water Solubility, LogSw

-2.91

Polar Surface Area

88.140

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with G199-0976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G199-0976?
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What is the minimum amount of G199-0976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G199-0976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G199-0976
  • 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 G199-0976 available by request