V004-7009 Screening compound: 2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(furan-2-yl)methyl]-N-methylbutanamide

V004-7009 Screening compound: 2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(furan-2-yl)methyl]-N-methylbutanamide
V004-7009 Screening compound: 2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(furan-2-yl)methyl]-N-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-7009
2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(furan-2-yl)methyl]-N-methylbutanamide

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

V004-7009

Molecular Formula

C30H35FN2O4 (C30 H35 FN2 O4)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(N(C)Cc1ccco1)=O)Oc1cc(C(c2cccc(F)c2)N(CC2)C(CC(C)C)=O)c2cc1

InChI

InChI=1S/C30H35FN2O4/c1-5-27(30(35)32(4)19-25-10-7-15-36-25)37-24-12-11-21-13-14-33(28(34)16-20(2)3)29(26(21)18-24)22-8-6-9-23(31)17-22/h6-12,15,17-18,20,27,29H,5,13-14,16,19H2,1-4H3

InChI Key

HSMMIBNAFPDHRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19916988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.057

Distribution Coefficient, logD

6.057

Water Solubility, LogSw

-5.51

Polar Surface Area

46.177

Acid Dissociation Constant (pKa)

22.07

Base Dissociation Constant (pKb)

-1.98

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

V004-7009 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V004-7009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-7009?
Check Price and Availability of V004-7009, 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 V004-7009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-7009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-7009
  • 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 V004-7009 available by request