G199-0936 Screening compound: 4-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-2-(2-fluorophenyl)-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-7-one

G199-0936 Screening compound: 4-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-2-(2-fluorophenyl)-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-7-one
G199-0936 Screening compound: 4-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-2-(2-fluorophenyl)-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G199-0936
4-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-2-(2-fluorophenyl)-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-7-one

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

G199-0936

Molecular Formula

C21H16FN5O2S (C21 H16 FN5 O2 S)

Compound Name

4-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-2-(2-fluorophenyl)-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-7-one

IUPAC name

4-{[2-(23-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-2-(2-fluorophenyl)-6H7H-pyrazolo[15-a][135]triazin-7-one

SMILES

O=C(CSC(N1N2)=NC(c(cccc3)c3F)=NC1=CC2=O)N(CC1)c2c1cccc2

InChI

InChI=1S/C21H16FN5O2S/c22-15-7-3-2-6-14(15)20-23-17-11-18(28)25-27(17)21(24-20)30-12-19(29)26-10-9-13-5-1-4-8-16(13)26/h1-8,11H,9-10,12H2,(H,25,28)

InChI Key

AHKPXXWUPLSBKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14984592

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.744

Distribution Coefficient, logD

2.744

Water Solubility, LogSw

-3.55

Polar Surface Area

65.356

Acid Dissociation Constant (pKa)

13.28

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

G199-0936 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G199-0936 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G199-0936?
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What is the minimum amount of G199-0936 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G199-0936
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G199-0936
  • 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 G199-0936 available by request