V030-7740 Screening compound: N-[(3-fluorophenyl)methyl]-2-{[2-(3-methylbutanoyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}butanamide

V030-7740 Screening compound: N-[(3-fluorophenyl)methyl]-2-{[2-(3-methylbutanoyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}butanamide
V030-7740 Screening compound: N-[(3-fluorophenyl)methyl]-2-{[2-(3-methylbutanoyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-7740
N-[(3-fluorophenyl)methyl]-2-{[2-(3-methylbutanoyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}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

V030-7740

Molecular Formula

C32H37FN2O3 (C32 H37 FN2 O3)

Compound Name

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

IUPAC name

N-[(3-fluorophenyl)methyl]-2-{[2-(3-methylbutanoyl)-1-(4-methylphenyl)-1234-tetrahydroisoquinolin-7-yl]oxy}butanamide

SMILES

CCC(C(NCc1cccc(F)c1)=O)Oc1cc(C(c2ccc(C)cc2)N(CC2)C(CC(C)C)=O)c2cc1

InChI

InChI=1S/C32H37FN2O3/c1-5-29(32(37)34-20-23-7-6-8-26(33)18-23)38-27-14-13-24-15-16-35(30(36)17-21(2)3)31(28(24)19-27)25-11-9-22(4)10-12-25/h6-14,18-19,21,29,31H,5,15-17,20H2,1-4H3,(H,34,37)

InChI Key

MTTIBRLMARHAKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19916849

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.66

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

6.670

Distribution Coefficient, logD

6.670

Water Solubility, LogSw

-5.64

Polar Surface Area

46.691

Acid Dissociation Constant (pKa)

12.71

Base Dissociation Constant (pKb)

-2.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with V030-7740 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-7740?
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What is the minimum amount of V030-7740 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-7740
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-7740
  • 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 V030-7740 available by request