G199-0520 Screening compound: 2-{[2-(2-chlorophenyl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

G199-0520 Screening compound: 2-{[2-(2-chlorophenyl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
G199-0520 Screening compound: 2-{[2-(2-chlorophenyl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G199-0520
2-{[2-(2-chlorophenyl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)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

G199-0520

Molecular Formula

C16H12ClN7O2S2 (C16 H12 ClN7 O2 S2)

Compound Name

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

IUPAC name

2-{[2-(2-chlorophenyl)-7-oxo-6H7H-pyrazolo[15-a][135]triazin-4-yl]sulfanyl}-N-(5-methyl-134-thiadiazol-2-yl)acetamide

SMILES

Cc1nnc(NC(CSC(N2N3)=NC(c(cccc4)c4Cl)=NC2=CC3=O)=O)s1

InChI

InChI=1S/C16H12ClN7O2S2/c1-8-21-22-15(28-8)19-13(26)7-27-16-20-14(9-4-2-3-5-10(9)17)18-11-6-12(25)23-24(11)16/h2-6H,7H2,1H3,(H,23,25)(H,19,22,26)

InChI Key

RFZCYYRILKOTKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14984546

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.9

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.964

Distribution Coefficient, logD

1.933

Water Solubility, LogSw

-3.14

Polar Surface Area

96.434

Acid Dissociation Constant (pKa)

8.54

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

G199-0520 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G199-0520 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G199-0520?
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What is the minimum amount of G199-0520 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G199-0520
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G199-0520
  • 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 G199-0520 available by request