G842-0806 Screening compound: 3-(2,3-dihydro-1H-indole-1-carbonyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridin-2-one

G842-0806 Screening compound: 3-(2,3-dihydro-1H-indole-1-carbonyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridin-2-one
G842-0806 Screening compound: 3-(2,3-dihydro-1H-indole-1-carbonyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G842-0806
3-(2,3-dihydro-1H-indole-1-carbonyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridin-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

G842-0806

Molecular Formula

C22H17F3N2O2 (C22 H17 F3 N2 O2)

Compound Name

3-(2,3-dihydro-1H-indole-1-carbonyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridin-2-one

IUPAC name

3-(23-dihydro-1H-indole-1-carbonyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-12-dihydropyridin-2-one

SMILES

O=C(C1=CC=CN(Cc2cccc(C(F)(F)F)c2)C1=O)N(CC1)c2c1cccc2

InChI

InChI=1S/C22H17F3N2O2/c23-22(24,25)17-7-3-5-15(13-17)14-26-11-4-8-18(20(26)28)21(29)27-12-10-16-6-1-2-9-19(16)27/h1-9,11,13H,10,12,14H2

InChI Key

VVTGKXYGIJVDKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08029609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.580

Distribution Coefficient, logD

3.580

Water Solubility, LogSw

-3.79

Polar Surface Area

31.632

Acid Dissociation Constant (pKa)

26.03

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

G842-0806 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with G842-0806 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G842-0806?
Check Price and Availability of G842-0806, 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 G842-0806 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G842-0806
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G842-0806
  • 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 G842-0806 available by request