V030-7777 Screening compound: 2-{[2-(2,2-dimethylpropanoyl)-1-(3-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(oxolan-2-yl)methyl]butanamide

V030-7777 Screening compound: 2-{[2-(2,2-dimethylpropanoyl)-1-(3-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(oxolan-2-yl)methyl]butanamide
V030-7777 Screening compound: 2-{[2-(2,2-dimethylpropanoyl)-1-(3-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(oxolan-2-yl)methyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-7777
2-{[2-(2,2-dimethylpropanoyl)-1-(3-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(oxolan-2-yl)methyl]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

V030-7777

Molecular Formula

C29H37FN2O4 (C29 H37 FN2 O4)

Compound Name

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

IUPAC name

2-{[2-(22-dimethylpropanoyl)-1-(3-fluorophenyl)-1234-tetrahydroisoquinolin-7-yl]oxy}-N-[(oxolan-2-yl)methyl]butanamide

SMILES

CCC(C(NCC1OCCC1)=O)Oc1cc(C(c2cccc(F)c2)N(CC2)C(C(C)(C)C)=O)c2cc1

InChI

InChI=1S/C29H37FN2O4/c1-5-25(27(33)31-18-23-10-7-15-35-23)36-22-12-11-19-13-14-32(28(34)29(2,3)4)26(24(19)17-22)20-8-6-9-21(30)16-20/h6,8-9,11-12,16-17,23,25-26H,5,7,10,13-15,18H2,1-4H3,(H,31,33)

InChI Key

VCBNHTMAONQWNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19916585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.027

Distribution Coefficient, logD

5.027

Water Solubility, LogSw

-4.66

Polar Surface Area

55.873

Acid Dissociation Constant (pKa)

13.89

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

51.70

V030-7777 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V030-7777 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-7777?
Check Price and Availability of V030-7777, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V030-7777 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-7777
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-7777
  • 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 V030-7777 available by request