G502-0051 Screening compound: N-(1-cyclopropanecarbonyl-1,2,3,4-tetrahydroquinolin-6-yl)-3-(trifluoromethyl)benzamide

G502-0051 Screening compound: N-(1-cyclopropanecarbonyl-1,2,3,4-tetrahydroquinolin-6-yl)-3-(trifluoromethyl)benzamide
G502-0051 Screening compound: N-(1-cyclopropanecarbonyl-1,2,3,4-tetrahydroquinolin-6-yl)-3-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G502-0051
N-(1-cyclopropanecarbonyl-1,2,3,4-tetrahydroquinolin-6-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

G502-0051

Molecular Formula

C21H19F3N2O2 (C21 H19 F3 N2 O2)

Compound Name

N-(1-cyclopropanecarbonyl-1,2,3,4-tetrahydroquinolin-6-yl)-3-(trifluoromethyl)benzamide

IUPAC name

N-(1-cyclopropanecarbonyl-1234-tetrahydroquinolin-6-yl)-3-(trifluoromethyl)benzamide

SMILES

O=C(C1CC1)N(CCC1)c(cc2)c1cc2NC(c1cccc(C(F)(F)F)c1)=O

InChI

InChI=1S/C21H19F3N2O2/c22-21(23,24)16-5-1-3-15(11-16)19(27)25-17-8-9-18-14(12-17)4-2-10-26(18)20(28)13-6-7-13/h1,3,5,8-9,11-13H,2,4,6-7,10H2,(H,25,27)

InChI Key

IDFZJQGFGLKUES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08006112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.175

Distribution Coefficient, logD

4.175

Water Solubility, LogSw

-4.39

Polar Surface Area

39.166

Acid Dissociation Constant (pKa)

10.66

Base Dissociation Constant (pKb)

3.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G502-0051 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 G502-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G502-0051?
Check Price and Availability of G502-0051, 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 G502-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G502-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G502-0051
  • 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 G502-0051 available by request