G194-0411 Screening compound: 3-{[2-(1H-indol-3-yl)ethyl]amino}-1-[3-(trifluoromethyl)phenyl]-1,2-dihydropyrazin-2-one

G194-0411 Screening compound: 3-{[2-(1H-indol-3-yl)ethyl]amino}-1-[3-(trifluoromethyl)phenyl]-1,2-dihydropyrazin-2-one
G194-0411 Screening compound: 3-{[2-(1H-indol-3-yl)ethyl]amino}-1-[3-(trifluoromethyl)phenyl]-1,2-dihydropyrazin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G194-0411
3-{[2-(1H-indol-3-yl)ethyl]amino}-1-[3-(trifluoromethyl)phenyl]-1,2-dihydropyrazin-2-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

G194-0411

Molecular Formula

C21H17F3N4O (C21 H17 F3 N4 O)

Compound Name

3-{[2-(1H-indol-3-yl)ethyl]amino}-1-[3-(trifluoromethyl)phenyl]-1,2-dihydropyrazin-2-one

IUPAC name

3-{[2-(1H-indol-3-yl)ethyl]amino}-1-[3-(trifluoromethyl)phenyl]-12-dihydropyrazin-2-one

SMILES

O=C(C(NCCc1c[nH]c2c1cccc2)=NC=C1)N1c1cccc(C(F)(F)F)c1

InChI

InChI=1S/C21H17F3N4O/c22-21(23,24)15-4-3-5-16(12-15)28-11-10-26-19(20(28)29)25-9-8-14-13-27-18-7-2-1-6-17(14)18/h1-7,10-13,27H,8-9H2,(H,25,26)

InChI Key

MSGTWRLRPABHCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14983682

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.050

Distribution Coefficient, logD

3.050

Water Solubility, LogSw

-3.37

Polar Surface Area

45.014

Acid Dissociation Constant (pKa)

11.76

Base Dissociation Constant (pKb)

3.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

G194-0411 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with G194-0411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G194-0411?
Check Price and Availability of G194-0411, 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 G194-0411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G194-0411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G194-0411
  • 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 G194-0411 available by request