V030-1180 Screening compound: 2-{[1-(3-fluorophenyl)-2-(2-methylpropanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(prop-2-en-1-yl)butanamide

V030-1180 Screening compound: 2-{[1-(3-fluorophenyl)-2-(2-methylpropanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(prop-2-en-1-yl)butanamide
V030-1180 Screening compound: 2-{[1-(3-fluorophenyl)-2-(2-methylpropanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(prop-2-en-1-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-1180
2-{[1-(3-fluorophenyl)-2-(2-methylpropanoyl)-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

V030-1180

Molecular Formula

C26H31FN2O3 (C26 H31 FN2 O3)

Compound Name

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

IUPAC name

2-{[1-(3-fluorophenyl)-2-(2-methylpropanoyl)-1234-tetrahydroisoquinolin-7-yl]oxy}-N-(prop-2-en-1-yl)butanamide

SMILES

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

InChI

InChI=1S/C26H31FN2O3/c1-5-13-28-25(30)23(6-2)32-21-11-10-18-12-14-29(26(31)17(3)4)24(22(18)16-21)19-8-7-9-20(27)15-19/h5,7-11,15-17,23-24H,1,6,12-14H2,2-4H3,(H,28,30)

InChI Key

ISPINVVGEVRQMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19916961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.922

Distribution Coefficient, logD

4.922

Water Solubility, LogSw

-4.60

Polar Surface Area

47.331

Acid Dissociation Constant (pKa)

13.38

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.50

References: we are preparing a list of scientific research reports with V030-1180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-1180?
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What is the minimum amount of V030-1180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-1180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-1180
  • 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 V030-1180 available by request