V004-3699 Screening compound: 2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[2-(pyridin-2-yl)ethyl]propanamide

V004-3699 Screening compound: 2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[2-(pyridin-2-yl)ethyl]propanamide
V004-3699 Screening compound: 2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[2-(pyridin-2-yl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-3699
2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[2-(pyridin-2-yl)ethyl]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

V004-3699

Molecular Formula

C30H34FN3O3 (C30 H34 FN3 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CC(N(CC1)C(c2cccc(F)c2)c2c1ccc(OC(C)C(NCCc1ncccc1)=O)c2)=O

InChI

InChI=1S/C30H34FN3O3/c1-20(2)17-28(35)34-16-13-22-10-11-26(19-27(22)29(34)23-7-6-8-24(31)18-23)37-21(3)30(36)33-15-12-25-9-4-5-14-32-25/h4-11,14,18-21,29H,12-13,15-17H2,1-3H3,(H,33,36)

InChI Key

NIPDHBDKYLQXFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19916477

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

503.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.864

Distribution Coefficient, logD

4.859

Water Solubility, LogSw

-4.48

Polar Surface Area

56.192

Acid Dissociation Constant (pKa)

14.41

Base Dissociation Constant (pKb)

5.45

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.70

V004-3699 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with V004-3699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-3699?
Check Price and Availability of V004-3699, 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 V004-3699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-3699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-3699
  • 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 V004-3699 available by request