7894-6124 Screening compound: 2-[(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)methyl]-1,2,3,4-tetrahydroisoquinoline

7894-6124 Screening compound: 2-[(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
7894-6124 Screening compound: 2-[(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)methyl]-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 7894-6124
2-[(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)methyl]-1,2,3,4-tetrahydroisoquinoline

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

7894-6124

Molecular Formula

C28H28F3N3O (C28 H28 F3 N3 O)

Compound Name

2-[(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)methyl]-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-[(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)methyl]-1234-tetrahydroisoquinoline

SMILES

O=C(c1ccc(CN(CC2)Cc3c2cccc3)cc1)N(CC1)CCN1c1cccc(C(F)(F)F)c1

InChI

InChI=1S/C28H28F3N3O/c29-28(30,31)25-6-3-7-26(18-25)33-14-16-34(17-15-33)27(35)23-10-8-21(9-11-23)19-32-13-12-22-4-1-2-5-24(22)20-32/h1-11,18H,12-17,19-20H2

InChI Key

MITOFCPPIKPOCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09440707

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.55

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.960

Distribution Coefficient, logD

4.679

Water Solubility, LogSw

-4.97

Polar Surface Area

23.542

Acid Dissociation Constant (pKa)

25.50

Base Dissociation Constant (pKb)

7.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

7894-6124 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 7894-6124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7894-6124?
Check Price and Availability of 7894-6124, 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 7894-6124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7894-6124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7894-6124
  • 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 7894-6124 available by request