V030-3173 Screening compound: 2-{[1-(4-methylphenyl)-2-(2-methylpropanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(propan-2-yl)butanamide

V030-3173 Screening compound: 2-{[1-(4-methylphenyl)-2-(2-methylpropanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(propan-2-yl)butanamide
V030-3173 Screening compound: 2-{[1-(4-methylphenyl)-2-(2-methylpropanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(propan-2-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-3173
2-{[1-(4-methylphenyl)-2-(2-methylpropanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(propan-2-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

V030-3173

Molecular Formula

C27H36N2O3 (C27 H36 N2 O3)

Compound Name

2-{[1-(4-methylphenyl)-2-(2-methylpropanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(propan-2-yl)butanamide

IUPAC name

2-{[1-(4-methylphenyl)-2-(2-methylpropanoyl)-1234-tetrahydroisoquinolin-7-yl]oxy}-N-(propan-2-yl)butanamide

SMILES

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

InChI

InChI=1S/C27H36N2O3/c1-7-24(26(30)28-18(4)5)32-22-13-12-20-14-15-29(27(31)17(2)3)25(23(20)16-22)21-10-8-19(6)9-11-21/h8-13,16-18,24-25H,7,14-15H2,1-6H3,(H,28,30)

InChI Key

NVFUNNAMUDKATN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19916222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.615

Distribution Coefficient, logD

5.615

Water Solubility, LogSw

-5.33

Polar Surface Area

46.464

Acid Dissociation Constant (pKa)

15.04

Base Dissociation Constant (pKb)

5.55

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

48.10

V030-3173 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V030-3173 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-3173?
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What is the minimum amount of V030-3173 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-3173
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-3173
  • 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 V030-3173 available by request