G511-0116 Screening compound: N-[1-(furan-2-carbonyl)-1,2,3,4-tetrahydroquinolin-7-yl]-3-(trifluoromethyl)benzamide

G511-0116 Screening compound: N-[1-(furan-2-carbonyl)-1,2,3,4-tetrahydroquinolin-7-yl]-3-(trifluoromethyl)benzamide
G511-0116 Screening compound: N-[1-(furan-2-carbonyl)-1,2,3,4-tetrahydroquinolin-7-yl]-3-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G511-0116
N-[1-(furan-2-carbonyl)-1,2,3,4-tetrahydroquinolin-7-yl]-3-(trifluoromethyl)benzamide

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

G511-0116

Molecular Formula

C22H17F3N2O3 (C22 H17 F3 N2 O3)

Compound Name

N-[1-(furan-2-carbonyl)-1,2,3,4-tetrahydroquinolin-7-yl]-3-(trifluoromethyl)benzamide

IUPAC name

N-[1-(furan-2-carbonyl)-1234-tetrahydroquinolin-7-yl]-3-(trifluoromethyl)benzamide

SMILES

O=C(c1ccco1)N(CCC1)c2c1ccc(NC(c1cccc(C(F)(F)F)c1)=O)c2

InChI

InChI=1S/C22H17F3N2O3/c23-22(24,25)16-6-1-4-15(12-16)20(28)26-17-9-8-14-5-2-10-27(18(14)13-17)21(29)19-7-3-11-30-19/h1,3-4,6-9,11-13H,2,5,10H2,(H,26,28)

InChI Key

IALHQKIUBHNTHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08007852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.451

Distribution Coefficient, logD

4.450

Water Solubility, LogSw

-4.44

Polar Surface Area

47.221

Acid Dissociation Constant (pKa)

9.96

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

G511-0116 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G511-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G511-0116?
Check Price and Availability of G511-0116, 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 G511-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G511-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G511-0116
  • 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 G511-0116 available by request