V003-7901 Screening compound: 2-{[1-(4-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-propylbutanamide

V003-7901 Screening compound: 2-{[1-(4-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-propylbutanamide
V003-7901 Screening compound: 2-{[1-(4-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-propylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-7901
2-{[1-(4-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-propylbutanamide

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

V003-7901

Molecular Formula

C27H35FN2O3 (C27 H35 FN2 O3)

Compound Name

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

IUPAC name

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

SMILES

CCCNC(C(CC)Oc1cc(C(c(cc2)ccc2F)N(CC2)C(CC(C)C)=O)c2cc1)=O

InChI

InChI=1S/C27H35FN2O3/c1-5-14-29-27(32)24(6-2)33-22-12-9-19-13-15-30(25(31)16-18(3)4)26(23(19)17-22)20-7-10-21(28)11-8-20/h7-12,17-18,24,26H,5-6,13-16H2,1-4H3,(H,29,32)

InChI Key

OMGOHLRLSQEODP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19916672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.578

Distribution Coefficient, logD

5.578

Water Solubility, LogSw

-5.39

Polar Surface Area

46.804

Acid Dissociation Constant (pKa)

15.22

Base Dissociation Constant (pKb)

5.21

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

48.10

References: we are preparing a list of scientific research reports with V003-7901 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-7901?
Check Price and Availability of V003-7901, 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 V003-7901 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-7901
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-7901
  • 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 V003-7901 available by request