V029-6836 Screening compound: 2-[(2-cyclopropanecarbonyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy]-N-(3-methylbutyl)butanamide

V029-6836 Screening compound: 2-[(2-cyclopropanecarbonyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy]-N-(3-methylbutyl)butanamide
V029-6836 Screening compound: 2-[(2-cyclopropanecarbonyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy]-N-(3-methylbutyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-6836
2-[(2-cyclopropanecarbonyl-1-phenyl-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

V029-6836

Molecular Formula

C28H36N2O3 (C28 H36 N2 O3)

Compound Name

2-[(2-cyclopropanecarbonyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy]-N-(3-methylbutyl)butanamide

IUPAC name

2-[(2-cyclopropanecarbonyl-1-phenyl-1234-tetrahydroisoquinolin-7-yl)oxy]-N-(3-methylbutyl)butanamide

SMILES

CCC(C(NCCC(C)C)=O)Oc1cc(C(c2ccccc2)N(CC2)C(C3CC3)=O)c2cc1

InChI

InChI=1S/C28H36N2O3/c1-4-25(27(31)29-16-14-19(2)3)33-23-13-12-20-15-17-30(28(32)22-10-11-22)26(24(20)18-23)21-8-6-5-7-9-21/h5-9,12-13,18-19,22,25-26H,4,10-11,14-17H2,1-3H3,(H,29,31)

InChI Key

KVFPRNSHOWVRHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19979702

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

5.741

Distribution Coefficient, logD

5.741

Water Solubility, LogSw

-5.40

Polar Surface Area

47.583

Acid Dissociation Constant (pKa)

13.89

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

V029-6836 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 V029-6836 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-6836?
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What is the minimum amount of V029-6836 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-6836
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-6836
  • 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 V029-6836 available by request