G199-3639 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide

G199-3639 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
G199-3639 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-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 G199-3639
N-(2H-1,3-benzodioxol-5-yl)-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

G199-3639

Molecular Formula

C21H15N5O6S (C21 H15 N5 O6 S)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-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-(2H-13-benzodioxol-5-yl)-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)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C21H15N5O6S/c27-18-7-17-23-20(11-1-3-13-15(5-11)31-9-29-13)24-21(26(17)25-18)33-8-19(28)22-12-2-4-14-16(6-12)32-10-30-14/h1-7H,8-10H2,(H,22,28)(H,25,27)

InChI Key

KZMSQMSVRGVPBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14985157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.45

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.453

Distribution Coefficient, logD

2.453

Water Solubility, LogSw

-2.92

Polar Surface Area

107.313

Acid Dissociation Constant (pKa)

11.72

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

G199-3639 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G199-3639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G199-3639?
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What is the minimum amount of G199-3639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G199-3639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G199-3639
  • 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 G199-3639 available by request