V016-5129 Screening compound: 2-chloro-N-({6,7-dimethoxy-2-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methyl)benzamide

V016-5129 Screening compound: 2-chloro-N-({6,7-dimethoxy-2-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methyl)benzamide
V016-5129 Screening compound: 2-chloro-N-({6,7-dimethoxy-2-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-5129
2-chloro-N-({6,7-dimethoxy-2-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methyl)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

V016-5129

Molecular Formula

C27H29ClN2O4 (C27 H29 ClN2 O4)

Compound Name

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

IUPAC name

2-chloro-N-({67-dimethoxy-2-[(4-methoxyphenyl)methyl]-1234-tetrahydroisoquinolin-1-yl}methyl)benzamide

SMILES

COc1ccc(CN(CC2)C(CNC(c(cccc3)c3Cl)=O)c(cc3OC)c2cc3OC)cc1

InChI

InChI=1S/C27H29ClN2O4/c1-32-20-10-8-18(9-11-20)17-30-13-12-19-14-25(33-2)26(34-3)15-22(19)24(30)16-29-27(31)21-6-4-5-7-23(21)28/h4-11,14-15,24H,12-13,16-17H2,1-3H3,(H,29,31)/t24-/m0/s1

InChI Key

ANZTWMBZPZTKCP-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19823397

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

480.99

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.215

Distribution Coefficient, logD

4.138

Water Solubility, LogSw

-4.49

Polar Surface Area

50.553

Acid Dissociation Constant (pKa)

10.81

Base Dissociation Constant (pKb)

6.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

V016-5129 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V016-5129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-5129?
Check Price and Availability of V016-5129, 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 V016-5129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-5129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-5129
  • 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 V016-5129 available by request