V024-1345 Screening compound: 2-{[1-(3-fluorophenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(3-methylbutyl)butanamide

V024-1345 Screening compound: 2-{[1-(3-fluorophenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(3-methylbutyl)butanamide
V024-1345 Screening compound: 2-{[1-(3-fluorophenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(3-methylbutyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-1345
2-{[1-(3-fluorophenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(3-methylbutyl)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

V024-1345

Molecular Formula

C27H35FN2O3 (C27 H35 FN2 O3)

Compound Name

2-{[1-(3-fluorophenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(3-methylbutyl)butanamide

IUPAC name

2-{[1-(3-fluorophenyl)-2-propanoyl-1234-tetrahydroisoquinolin-7-yl]oxy}-N-(3-methylbutyl)butanamide

SMILES

CCC(C(NCCC(C)C)=O)Oc1cc(C(c2cccc(F)c2)N(CC2)C(CC)=O)c2cc1

InChI

InChI=1S/C27H35FN2O3/c1-5-24(27(32)29-14-12-18(3)4)33-22-11-10-19-13-15-30(25(31)6-2)26(23(19)17-22)20-8-7-9-21(28)16-20/h7-11,16-18,24,26H,5-6,12-15H2,1-4H3,(H,29,32)

InChI Key

RPJDJCAWKSUPKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19917002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.58

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

5.645

Distribution Coefficient, logD

5.645

Water Solubility, LogSw

-5.42

Polar Surface Area

46.804

Acid Dissociation Constant (pKa)

13.89

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

48.10

V024-1345 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V024-1345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-1345?
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What is the minimum amount of V024-1345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-1345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-1345
  • 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 V024-1345 available by request