V026-4423 Screening compound: N-({2-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}methyl)benzamide

V026-4423 Screening compound: N-({2-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}methyl)benzamide
V026-4423 Screening compound: N-({2-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-4423
N-({2-[(3-fluorophenyl)methyl]-6,7-dimethoxy-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

V026-4423

Molecular Formula

C26H27FN2O3 (C26 H27 FN2 O3)

Compound Name

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

IUPAC name

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

SMILES

COc1cc(CCN(Cc2cccc(F)c2)C2CNC(c3ccccc3)=O)c2cc1OC

InChI

InChI=1S/C26H27FN2O3/c1-31-24-14-20-11-12-29(17-18-7-6-10-21(27)13-18)23(22(20)15-25(24)32-2)16-28-26(30)19-8-4-3-5-9-19/h3-10,13-15,23H,11-12,16-17H2,1-2H3,(H,28,30)/t23-/m0/s1

InChI Key

OMLFXNHBYBSOSU-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19822430

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

434.51

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

3.497

Distribution Coefficient, logD

3.420

Water Solubility, LogSw

-3.76

Polar Surface Area

43.009

Acid Dissociation Constant (pKa)

11.75

Base Dissociation Constant (pKb)

6.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

V026-4423 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with V026-4423 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-4423?
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What is the minimum amount of V026-4423 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-4423
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-4423
  • 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 V026-4423 available by request