E632-0311 Screening compound: 4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

E632-0311 Screening compound: 4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
E632-0311 Screening compound: 4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E632-0311
4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

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

E632-0311

Molecular Formula

C23H26F3N3O (C23 H26 F3 N3 O)

Compound Name

4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

IUPAC name

4-[(1234-tetrahydroisoquinolin-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

SMILES

O=C(Nc1cccc(C(F)(F)F)c1)N1CCC(CN(CC2)Cc3c2cccc3)CC1

InChI

InChI=1S/C23H26F3N3O/c24-23(25,26)20-6-3-7-21(14-20)27-22(30)29-12-8-17(9-13-29)15-28-11-10-18-4-1-2-5-19(18)16-28/h1-7,14,17H,8-13,15-16H2,(H,27,30)

InChI Key

FPLKGXYGMABAFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14905703

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.094

Distribution Coefficient, logD

3.483

Water Solubility, LogSw

-5.37

Polar Surface Area

29.102

Acid Dissociation Constant (pKa)

11.62

Base Dissociation Constant (pKb)

9.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

E632-0311 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with E632-0311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E632-0311?
Check Price and Availability of E632-0311, 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 E632-0311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E632-0311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E632-0311
  • 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 E632-0311 available by request