V009-9413 Screening compound: 2-{[2-cyclopentanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(3-fluorophenyl)methyl]acetamide

V009-9413 Screening compound: 2-{[2-cyclopentanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(3-fluorophenyl)methyl]acetamide
V009-9413 Screening compound: 2-{[2-cyclopentanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(3-fluorophenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-9413
2-{[2-cyclopentanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(3-fluorophenyl)methyl]acetamide

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

V009-9413

Molecular Formula

C31H33FN2O3 (C31 H33 FN2 O3)

Compound Name

2-{[2-cyclopentanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(3-fluorophenyl)methyl]acetamide

IUPAC name

2-{[2-cyclopentanecarbonyl-1-(4-methylphenyl)-1234-tetrahydroisoquinolin-7-yl]oxy}-N-[(3-fluorophenyl)methyl]acetamide

SMILES

Cc1ccc(C(c2c(CC3)ccc(OCC(NCc4cccc(F)c4)=O)c2)N3C(C2CCCC2)=O)cc1

InChI

InChI=1S/C31H33FN2O3/c1-21-9-11-24(12-10-21)30-28-18-27(37-20-29(35)33-19-22-5-4-8-26(32)17-22)14-13-23(28)15-16-34(30)31(36)25-6-2-3-7-25/h4-5,8-14,17-18,25,30H,2-3,6-7,15-16,19-20H2,1H3,(H,33,35)/t30-/m0/s1

InChI Key

LLXZXBMTKCGTNB-PMERELPUSA-N

MDL Number (MFCD)

MFCD19916919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.61

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

6.143

Distribution Coefficient, logD

6.143

Water Solubility, LogSw

-5.38

Polar Surface Area

48.118

Acid Dissociation Constant (pKa)

13.15

Base Dissociation Constant (pKb)

-2.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.50

References: we are preparing a list of scientific research reports with V009-9413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-9413?
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What is the minimum amount of V009-9413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-9413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-9413
  • 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 V009-9413 available by request