V002-1034 Screening compound: 3-chloro-N-(1-{2-[(2-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}ethyl)benzamide

V002-1034 Screening compound: 3-chloro-N-(1-{2-[(2-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}ethyl)benzamide
V002-1034 Screening compound: 3-chloro-N-(1-{2-[(2-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}ethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-1034
3-chloro-N-(1-{2-[(2-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}ethyl)benzamide

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

V002-1034

Molecular Formula

C27H28ClFN2O3 (C27 H28 ClFN2 O3)

Compound Name

3-chloro-N-(1-{2-[(2-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}ethyl)benzamide

IUPAC name

3-chloro-N-(1-{2-[(2-fluorophenyl)methyl]-67-dimethoxy-1234-tetrahydroisoquinolin-1-yl}ethyl)benzamide

SMILES

CC(C1N(Cc(cccc2)c2F)CCc(cc2OC)c1cc2OC)NC(c1cccc(Cl)c1)=O

InChI

InChI=1S/C27H28ClFN2O3/c1-17(30-27(32)19-8-6-9-21(28)13-19)26-22-15-25(34-3)24(33-2)14-18(22)11-12-31(26)16-20-7-4-5-10-23(20)29/h4-10,13-15,17,26H,11-12,16H2,1-3H3,(H,30,32)

InChI Key

MROYYMRTGHKPSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10460546

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

482.98

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.855

Distribution Coefficient, logD

4.795

Water Solubility, LogSw

-4.85

Polar Surface Area

42.220

Acid Dissociation Constant (pKa)

11.07

Base Dissociation Constant (pKb)

6.57

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.60

V002-1034 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Cardiovascular Library (22201 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V002-1034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-1034?
Check Price and Availability of V002-1034, 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 V002-1034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-1034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-1034
  • 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 V002-1034 available by request