V004-3720 Screening compound: 2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(4-fluorophenyl)methyl]propanamide

V004-3720 Screening compound: 2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(4-fluorophenyl)methyl]propanamide
V004-3720 Screening compound: 2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(4-fluorophenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-3720
2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(4-fluorophenyl)methyl]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

V004-3720

Molecular Formula

C30H32F2N2O3 (C30 H32 F2 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CC(N(CC1)C(c2cccc(F)c2)c2c1ccc(OC(C)C(NCc(cc1)ccc1F)=O)c2)=O

InChI

InChI=1S/C30H32F2N2O3/c1-19(2)15-28(35)34-14-13-22-9-12-26(17-27(22)29(34)23-5-4-6-25(32)16-23)37-20(3)30(36)33-18-21-7-10-24(31)11-8-21/h4-12,16-17,19-20,29H,13-15,18H2,1-3H3,(H,33,36)

InChI Key

MYDUCAKNQKVMCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19916486

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.627

Distribution Coefficient, logD

5.627

Water Solubility, LogSw

-5.44

Polar Surface Area

46.808

Acid Dissociation Constant (pKa)

12.48

Base Dissociation Constant (pKb)

-2.21

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

V004-3720 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with V004-3720 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-3720?
Check Price and Availability of V004-3720, 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 V004-3720 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-3720
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-3720
  • 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 V004-3720 available by request