V030-7762 Screening compound: N-ethyl-5-({[2-(3-methylbutanoyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)furan-2-carboxamide

V030-7762 Screening compound: N-ethyl-5-({[2-(3-methylbutanoyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)furan-2-carboxamide
V030-7762 Screening compound: N-ethyl-5-({[2-(3-methylbutanoyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-7762
N-ethyl-5-({[2-(3-methylbutanoyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)furan-2-carboxamide

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

V030-7762

Molecular Formula

C29H34N2O4 (C29 H34 N2 O4)

Compound Name

N-ethyl-5-({[2-(3-methylbutanoyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)furan-2-carboxamide

IUPAC name

N-ethyl-5-({[2-(3-methylbutanoyl)-1-(4-methylphenyl)-1234-tetrahydroisoquinolin-7-yl]oxy}methyl)furan-2-carboxamide

SMILES

CCNC(c1ccc(COc2cc(C(c3ccc(C)cc3)N(CC3)C(CC(C)C)=O)c3cc2)o1)=O

InChI

InChI=1S/C29H34N2O4/c1-5-30-29(33)26-13-12-24(35-26)18-34-23-11-10-21-14-15-31(27(32)16-19(2)3)28(25(21)17-23)22-8-6-20(4)7-9-22/h6-13,17,19,28H,5,14-16,18H2,1-4H3,(H,30,33)/t28-/m0/s1

InChI Key

ZLZGEXQEUNXUHI-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD19917524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.6

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

5.567

Distribution Coefficient, logD

5.567

Water Solubility, LogSw

-5.35

Polar Surface Area

54.985

Acid Dissociation Constant (pKa)

14.44

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.90

V030-7762 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with V030-7762 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-7762?
Check Price and Availability of V030-7762, 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 V030-7762 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-7762
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-7762
  • 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 V030-7762 available by request