V030-1217 Screening compound: 2-{[2-(3-methylbutanoyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(prop-2-en-1-yl)butanamide

V030-1217 Screening compound: 2-{[2-(3-methylbutanoyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(prop-2-en-1-yl)butanamide
V030-1217 Screening compound: 2-{[2-(3-methylbutanoyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(prop-2-en-1-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-1217
2-{[2-(3-methylbutanoyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(prop-2-en-1-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

V030-1217

Molecular Formula

C28H36N2O3 (C28 H36 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(NCC=C)=O)Oc1cc(C(c2ccc(C)cc2)N(CC2)C(CC(C)C)=O)c2cc1

InChI

InChI=1S/C28H36N2O3/c1-6-15-29-28(32)25(7-2)33-23-13-12-21-14-16-30(26(31)17-19(3)4)27(24(21)18-23)22-10-8-20(5)9-11-22/h6,8-13,18-19,25,27H,1,7,14-17H2,2-5H3,(H,29,32)

InChI Key

FWGMAOBVTIYVHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19916848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.61

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

5.661

Distribution Coefficient, logD

5.661

Water Solubility, LogSw

-5.35

Polar Surface Area

46.804

Acid Dissociation Constant (pKa)

13.38

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with V030-1217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-1217?
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What is the minimum amount of V030-1217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-1217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-1217
  • 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 V030-1217 available by request