V003-6012 Screening compound: N~2~,N~2~-diethyl-5-({[1-(4-methylphenyl)-2-propionyl-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}methyl)-2-furamide

V003-6012 Screening compound: N~2~,N~2~-diethyl-5-({[1-(4-methylphenyl)-2-propionyl-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}methyl)-2-furamide
V003-6012 Screening compound: N~2~,N~2~-diethyl-5-({[1-(4-methylphenyl)-2-propionyl-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}methyl)-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-6012
N~2~,N~2~-diethyl-5-({[1-(4-methylphenyl)-2-propionyl-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}methyl)-2-furamide

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

V003-6012

Molecular Formula

C29H34N2O4 (C29 H34 N2 O4)

Compound Name

N~2~,N~2~-diethyl-5-({[1-(4-methylphenyl)-2-propionyl-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}methyl)-2-furamide

IUPAC name

NN-diethyl-5-({[1-(4-methylphenyl)-2-propanoyl-1234-tetrahydroisoquinolin-7-yl]oxy}methyl)furan-2-carboxamide

SMILES

CCC(N(CC1)C(c2ccc(C)cc2)c2c1ccc(OCc1ccc(C(N(CC)CC)=O)o1)c2)=O

InChI

InChI=1S/C29H34N2O4/c1-5-27(32)31-17-16-21-12-13-23(18-25(21)28(31)22-10-8-20(4)9-11-22)34-19-24-14-15-26(35-24)29(33)30(6-2)7-3/h8-15,18,28H,5-7,16-17,19H2,1-4H3/t28-/m0/s1

InChI Key

BVOGNJOBKRGFCY-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD19917949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.453

Distribution Coefficient, logD

5.453

Water Solubility, LogSw

-5.39

Polar Surface Area

46.606

Acid Dissociation Constant (pKa)

22.96

Base Dissociation Constant (pKb)

5.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.93

V003-6012 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V003-6012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-6012?
Check Price and Availability of V003-6012, 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 V003-6012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-6012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-6012
  • 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 V003-6012 available by request