V028-9376 Screening compound: N-(1-{6,7-dimethoxy-2-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}ethyl)cyclopentanecarboxamide

V028-9376 Screening compound: N-(1-{6,7-dimethoxy-2-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}ethyl)cyclopentanecarboxamide
V028-9376 Screening compound: N-(1-{6,7-dimethoxy-2-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}ethyl)cyclopentanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-9376
N-(1-{6,7-dimethoxy-2-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}ethyl)cyclopentanecarboxamide

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

V028-9376

Molecular Formula

C27H36N2O3 (C27 H36 N2 O3)

Compound Name

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

IUPAC name

N-(1-{67-dimethoxy-2-[(4-methylphenyl)methyl]-1234-tetrahydroisoquinolin-1-yl}ethyl)cyclopentanecarboxamide

SMILES

CC(C1N(Cc2ccc(C)cc2)CCc(cc2OC)c1cc2OC)NC(C1CCCC1)=O

InChI

InChI=1S/C27H36N2O3/c1-18-9-11-20(12-10-18)17-29-14-13-22-15-24(31-3)25(32-4)16-23(22)26(29)19(2)28-27(30)21-7-5-6-8-21/h9-12,15-16,19,21,26H,5-8,13-14,17H2,1-4H3,(H,28,30)

InChI Key

BKNIKJMIFLJZRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19818397

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

436.59

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

4.277

Distribution Coefficient, logD

3.273

Water Solubility, LogSw

-4.13

Polar Surface Area

42.778

Acid Dissociation Constant (pKa)

12.84

Base Dissociation Constant (pKb)

8.36

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

51.90

V028-9376 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V028-9376 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-9376?
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What is the minimum amount of V028-9376 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-9376
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-9376
  • 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 V028-9376 available by request