F936-0390 Screening compound: N-[2-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)-2-(pyrrolidin-1-yl)ethyl]-N'-[4-(trifluoromethoxy)phenyl]ethanediamide

F936-0390 Screening compound: N-[2-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)-2-(pyrrolidin-1-yl)ethyl]-N'-[4-(trifluoromethoxy)phenyl]ethanediamide
F936-0390 Screening compound: N-[2-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)-2-(pyrrolidin-1-yl)ethyl]-N'-[4-(trifluoromethoxy)phenyl]ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F936-0390
N-[2-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)-2-(pyrrolidin-1-yl)ethyl]-N'-[4-(trifluoromethoxy)phenyl]ethanediamide

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

F936-0390

Molecular Formula

C25H29F3N4O3 (C25 H29 F3 N4 O3)

Compound Name

N-[2-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)-2-(pyrrolidin-1-yl)ethyl]-N'-[4-(trifluoromethoxy)phenyl]ethanediamide

IUPAC name

N-[2-(1-methyl-1234-tetrahydroquinolin-6-yl)-2-(pyrrolidin-1-yl)ethyl]-N'-[4-(trifluoromethoxy)phenyl]ethanediamide

SMILES

CN(CCC1)c2c1cc(C(CNC(C(Nc(cc1)ccc1OC(F)(F)F)=O)=O)N1CCCC1)cc2

InChI

InChI=1S/C25H29F3N4O3/c1-31-12-4-5-17-15-18(6-11-21(17)31)22(32-13-2-3-14-32)16-29-23(33)24(34)30-19-7-9-20(10-8-19)35-25(26,27)28/h6-11,15,22H,2-5,12-14,16H2,1H3,(H,29,33)(H,30,34)/t22-/m0/s1

InChI Key

JRXPHVFQTXVXFA-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD08946187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.484

Distribution Coefficient, logD

2.026

Water Solubility, LogSw

-3.97

Polar Surface Area

59.856

Acid Dissociation Constant (pKa)

7.72

Base Dissociation Constant (pKb)

8.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

F936-0390 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 F936-0390 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F936-0390?
Check Price and Availability of F936-0390, 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 F936-0390 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F936-0390
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F936-0390
  • 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 F936-0390 available by request