V002-6288 Screening compound: 1-[3-(2-chlorophenyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[3,4-dihydro-2(1H)-isoquinolinyl]-1-ethanone

V002-6288 Screening compound: 1-[3-(2-chlorophenyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[3,4-dihydro-2(1H)-isoquinolinyl]-1-ethanone
V002-6288 Screening compound: 1-[3-(2-chlorophenyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[3,4-dihydro-2(1H)-isoquinolinyl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-6288
1-[3-(2-chlorophenyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[3,4-dihydro-2(1H)-isoquinolinyl]-1-ethanone

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

V002-6288

Molecular Formula

C27H26ClN3O2 (C27 H26 ClN3 O2)

Compound Name

1-[3-(2-chlorophenyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[3,4-dihydro-2(1H)-isoquinolinyl]-1-ethanone

IUPAC name

1-[3-(2-chlorophenyl)-5-(2-methoxyphenyl)-45-dihydro-1H-pyrazol-1-yl]-2-(1234-tetrahydroisoquinolin-2-yl)ethan-1-one

SMILES

COc1c(C(C2)N(C(CN(CC3)Cc4c3cccc4)=O)N=C2c(cccc2)c2Cl)cccc1

InChI

InChI=1S/C27H26ClN3O2/c1-33-26-13-7-5-11-22(26)25-16-24(21-10-4-6-12-23(21)28)29-31(25)27(32)18-30-15-14-19-8-2-3-9-20(19)17-30/h2-13,25H,14-18H2,1H3/t25-/m1/s1

InChI Key

QRBWKBZLPUIBFE-RUZDIDTESA-N

MDL Number (MFCD)

MFCD19885574

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

459.98

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.541

Distribution Coefficient, logD

5.531

Water Solubility, LogSw

-5.79

Polar Surface Area

37.884

Acid Dissociation Constant (pKa)

18.73

Base Dissociation Constant (pKb)

5.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

V002-6288 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V002-6288 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-6288?
Check Price and Availability of V002-6288, 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 V002-6288 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-6288
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-6288
  • 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 V002-6288 available by request