V003-7668 Screening compound: N-cyclopropyl-2-{[1-(4-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}propanamide

V003-7668 Screening compound: N-cyclopropyl-2-{[1-(4-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}propanamide
V003-7668 Screening compound: N-cyclopropyl-2-{[1-(4-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-7668
N-cyclopropyl-2-{[1-(4-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}propanamide

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

V003-7668

Molecular Formula

C26H31FN2O3 (C26 H31 FN2 O3)

Compound Name

N-cyclopropyl-2-{[1-(4-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}propanamide

IUPAC name

N-cyclopropyl-2-{[1-(4-fluorophenyl)-2-(3-methylbutanoyl)-1234-tetrahydroisoquinolin-7-yl]oxy}propanamide

SMILES

CC(C)CC(N(CC1)C(c(cc2)ccc2F)c2c1ccc(OC(C)C(NC1CC1)=O)c2)=O

InChI

InChI=1S/C26H31FN2O3/c1-16(2)14-24(30)29-13-12-18-6-11-22(32-17(3)26(31)28-21-9-10-21)15-23(18)25(29)19-4-7-20(27)8-5-19/h4-8,11,15-17,21,25H,9-10,12-14H2,1-3H3,(H,28,31)

InChI Key

JBCNTMGETWHGMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19916661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.54

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

4.819

Distribution Coefficient, logD

4.819

Water Solubility, LogSw

-4.50

Polar Surface Area

46.864

Acid Dissociation Constant (pKa)

13.54

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.20

V003-7668 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with V003-7668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-7668?
Check Price and Availability of V003-7668, 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 V003-7668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-7668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-7668
  • 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 V003-7668 available by request