E632-2287 Screening compound: 3-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

E632-2287 Screening compound: 3-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
E632-2287 Screening compound: 3-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E632-2287
3-[(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

E632-2287

Molecular Formula

C23H26F3N3O (C23 H26 F3 N3 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(Nc1cccc(C(F)(F)F)c1)N1CC(CN(CC2)Cc3c2cccc3)CCC1

InChI

InChI=1S/C23H26F3N3O/c24-23(25,26)20-8-3-9-21(13-20)27-22(30)29-11-4-5-17(15-29)14-28-12-10-18-6-1-2-7-19(18)16-28/h1-3,6-9,13,17H,4-5,10-12,14-16H2,(H,27,30)/t17-/m1/s1

InChI Key

GQWUOZNRYNHUKD-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD14905781

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

5.078

Distribution Coefficient, logD

4.756

Water Solubility, LogSw

-5.14

Polar Surface Area

29.035

Acid Dissociation Constant (pKa)

11.62

Base Dissociation Constant (pKb)

7.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

E632-2287 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E632-2287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E632-2287?
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What is the minimum amount of E632-2287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E632-2287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E632-2287
  • 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 E632-2287 available by request