V002-9799 Screening compound: 2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one

V002-9799 Screening compound: 2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one
V002-9799 Screening compound: 2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-9799
2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one

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

V002-9799

Molecular Formula

C27H31Cl2N3O2 (C27 H31 Cl2 N3 O2)

Compound Name

2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one

IUPAC name

2-cyclopentyl-2-[4-(24-dichlorobenzoyl)piperazin-1-yl]-1-(1234-tetrahydroisoquinolin-2-yl)ethan-1-one

SMILES

O=C(C(C1CCCC1)N(CC1)CCN1C(c(ccc(Cl)c1)c1Cl)=O)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C27H31Cl2N3O2/c28-22-9-10-23(24(29)17-22)26(33)31-15-13-30(14-16-31)25(20-6-2-3-7-20)27(34)32-12-11-19-5-1-4-8-21(19)18-32/h1,4-5,8-10,17,20,25H,2-3,6-7,11-16,18H2/t25-/m0/s1

InChI Key

XHSDSOSVOHVOAB-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19879475

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

500.47

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

4.683

Distribution Coefficient, logD

4.683

Water Solubility, LogSw

-5.08

Polar Surface Area

36.588

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

3.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.10

V002-9799 in Drug Discovery

Included in Screening Libraries

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V002-9799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-9799?
Check Price and Availability of V002-9799, 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 V002-9799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-9799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-9799
  • 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 V002-9799 available by request