G199-3636 Screening compound: 2-{[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(4-phenylbutan-2-yl)acetamide

G199-3636 Screening compound: 2-{[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(4-phenylbutan-2-yl)acetamide
G199-3636 Screening compound: 2-{[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(4-phenylbutan-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G199-3636
2-{[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(4-phenylbutan-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

G199-3636

Molecular Formula

C24H23N5O4S (C24 H23 N5 O4 S)

Compound Name

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

IUPAC name

2-{[2-(2H-13-benzodioxol-5-yl)-7-oxo-6H7H-pyrazolo[15-a][135]triazin-4-yl]sulfanyl}-N-(4-phenylbutan-2-yl)acetamide

SMILES

CC(CCc1ccccc1)NC(CSC(N1N2)=NC(c(cc3)cc4c3OCO4)=NC1=CC2=O)=O

InChI

InChI=1S/C24H23N5O4S/c1-15(7-8-16-5-3-2-4-6-16)25-22(31)13-34-24-27-23(26-20-12-21(30)28-29(20)24)17-9-10-18-19(11-17)33-14-32-18/h2-6,9-12,15H,7-8,13-14H2,1H3,(H,25,31)(H,28,30)/t15-/m0/s1

InChI Key

HIRRCQFIXQOLMH-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14985155

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.245

Distribution Coefficient, logD

3.245

Water Solubility, LogSw

-3.66

Polar Surface Area

90.961

Acid Dissociation Constant (pKa)

13.28

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

G199-3636 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G199-3636 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G199-3636?
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What is the minimum amount of G199-3636 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G199-3636
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G199-3636
  • 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 G199-3636 available by request