G199-3514 Screening compound: N-(2,5-difluorophenyl)-2-{[2-(furan-2-yl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide

G199-3514 Screening compound: N-(2,5-difluorophenyl)-2-{[2-(furan-2-yl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
G199-3514 Screening compound: N-(2,5-difluorophenyl)-2-{[2-(furan-2-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 G199-3514
N-(2,5-difluorophenyl)-2-{[2-(furan-2-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

G199-3514

Molecular Formula

C17H11F2N5O3S (C17 H11 F2 N5 O3 S)

Compound Name

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

IUPAC name

N-(25-difluorophenyl)-2-{[2-(furan-2-yl)-7-oxo-6H7H-pyrazolo[15-a][135]triazin-4-yl]sulfanyl}acetamide

SMILES

O=C(CSC(N1N2)=NC(c3ccco3)=NC1=CC2=O)Nc(cc(cc1)F)c1F

InChI

InChI=1S/C17H11F2N5O3S/c18-9-3-4-10(19)11(6-9)20-15(26)8-28-17-22-16(12-2-1-5-27-12)21-13-7-14(25)23-24(13)17/h1-7H,8H2,(H,20,26)(H,23,25)

InChI Key

ODIPNAYNDZLZKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14985119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.990

Distribution Coefficient, logD

1.984

Water Solubility, LogSw

-2.63

Polar Surface Area

80.963

Acid Dissociation Constant (pKa)

9.26

Base Dissociation Constant (pKb)

0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

G199-3514 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 G199-3514 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G199-3514?
Check Price and Availability of G199-3514, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G199-3514 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G199-3514
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G199-3514
  • 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 G199-3514 available by request