G199-3600 Screening compound: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-2-{[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide

G199-3600 Screening compound: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-2-{[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
G199-3600 Screening compound: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-2-{[2-(2H-1,3-benzodioxol-5-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 G199-3600
N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-2-{[2-(2H-1,3-benzodioxol-5-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

G199-3600

Molecular Formula

C23H19N7O4S (C23 H19 N7 O4 S)

Compound Name

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

IUPAC name

N-[2-(1H-13-benzodiazol-2-yl)ethyl]-2-{[2-(2H-13-benzodioxol-5-yl)-7-oxo-6H7H-pyrazolo[15-a][135]triazin-4-yl]sulfanyl}acetamide

SMILES

O=C(CSC(N1N2)=NC(c(cc3)cc4c3OCO4)=NC1=CC2=O)NCCc1nc(cccc2)c2[nH]1

InChI

InChI=1S/C23H19N7O4S/c31-20-10-19-27-22(13-5-6-16-17(9-13)34-12-33-16)28-23(30(19)29-20)35-11-21(32)24-8-7-18-25-14-3-1-2-4-15(14)26-18/h1-6,9-10H,7-8,11-12H2,(H,24,32)(H,25,26)(H,29,31)

InChI Key

RFYZLJUHYRBOBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14985137

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.954

Distribution Coefficient, logD

1.940

Water Solubility, LogSw

-2.66

Polar Surface Area

111.643

Acid Dissociation Constant (pKa)

13.46

Base Dissociation Constant (pKb)

5.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

G199-3600 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G199-3600 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G199-3600?
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What is the minimum amount of G199-3600 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G199-3600
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G199-3600
  • 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 G199-3600 available by request