V024-0050 Screening compound: 2-({2-[(2-fluorophenyl)methyl]-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl}oxy)-N-(morpholin-4-yl)butanamide

V024-0050 Screening compound: 2-({2-[(2-fluorophenyl)methyl]-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl}oxy)-N-(morpholin-4-yl)butanamide
V024-0050 Screening compound: 2-({2-[(2-fluorophenyl)methyl]-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl}oxy)-N-(morpholin-4-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-0050
2-({2-[(2-fluorophenyl)methyl]-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl}oxy)-N-(morpholin-4-yl)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

V024-0050

Molecular Formula

C30H34FN3O3 (C30 H34 FN3 O3)

Compound Name

2-({2-[(2-fluorophenyl)methyl]-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl}oxy)-N-(morpholin-4-yl)butanamide

IUPAC name

2-({2-[(2-fluorophenyl)methyl]-1-phenyl-1234-tetrahydroisoquinolin-7-yl}oxy)-N-(morpholin-4-yl)butanamide

SMILES

CCC(C(NN1CCOCC1)=O)Oc1cc(C(c2ccccc2)N(Cc(cccc2)c2F)CC2)c2cc1

InChI

InChI=1S/C30H34FN3O3/c1-2-28(30(35)32-34-16-18-36-19-17-34)37-25-13-12-22-14-15-33(21-24-10-6-7-11-27(24)31)29(26(22)20-25)23-8-4-3-5-9-23/h3-13,20,28-29H,2,14-19,21H2,1H3,(H,32,35)

InChI Key

ARVHYJGKACMVIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19898393

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

503.62

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

5.004

Distribution Coefficient, logD

4.423

Water Solubility, LogSw

-4.62

Polar Surface Area

46.745

Acid Dissociation Constant (pKa)

13.32

Base Dissociation Constant (pKb)

7.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.67

V024-0050 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 V024-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-0050?
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What is the minimum amount of V024-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-0050
  • 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 V024-0050 available by request