V023-4622 Screening compound: 2-{[2-(2-fluorobenzyl)-1-phenyl-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}-N~1~-[2-(2-pyridyl)ethyl]butanamide

V023-4622 Screening compound: 2-{[2-(2-fluorobenzyl)-1-phenyl-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}-N~1~-[2-(2-pyridyl)ethyl]butanamide
V023-4622 Screening compound: 2-{[2-(2-fluorobenzyl)-1-phenyl-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}-N~1~-[2-(2-pyridyl)ethyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V023-4622
2-{[2-(2-fluorobenzyl)-1-phenyl-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}-N~1~-[2-(2-pyridyl)ethyl]butanamide

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

V023-4622

Molecular Formula

C33H34FN3O2 (C33 H34 FN3 O2)

Compound Name

2-{[2-(2-fluorobenzyl)-1-phenyl-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}-N~1~-[2-(2-pyridyl)ethyl]butanamide

IUPAC name

2-({2-[(2-fluorophenyl)methyl]-1-phenyl-1234-tetrahydroisoquinolin-7-yl}oxy)-N-[2-(pyridin-2-yl)ethyl]butanamide

SMILES

CCC(C(NCCc1ncccc1)=O)Oc1cc(C(c2ccccc2)N(Cc(cccc2)c2F)CC2)c2cc1

InChI

InChI=1S/C33H34FN3O2/c1-2-31(33(38)36-20-17-27-13-8-9-19-35-27)39-28-16-15-24-18-21-37(23-26-12-6-7-14-30(26)34)32(29(24)22-28)25-10-4-3-5-11-25/h3-16,19,22,31-32H,2,17-18,20-21,23H2,1H3,(H,36,38)

InChI Key

LUYCTHLBKVZAEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19898392

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

523.65

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.071

Distribution Coefficient, logD

5.490

Water Solubility, LogSw

-5.47

Polar Surface Area

43.581

Acid Dissociation Constant (pKa)

14.21

Base Dissociation Constant (pKb)

7.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.30

V023-4622 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 V023-4622 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V023-4622?
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What is the minimum amount of V023-4622 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-4622
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-4622
  • 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 V023-4622 available by request