V017-7282 Screening compound: 2-{[2-benzoyl-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(4-fluorophenyl)acetamide

V017-7282 Screening compound: 2-{[2-benzoyl-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(4-fluorophenyl)acetamide
V017-7282 Screening compound: 2-{[2-benzoyl-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-7282
2-{[2-benzoyl-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(4-fluorophenyl)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

V017-7282

Molecular Formula

C31H27FN2O3 (C31 H27 FN2 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(C(c2c(CC3)ccc(OCC(Nc(cc4)ccc4F)=O)c2)N3C(c2ccccc2)=O)c1

InChI

InChI=1S/C31H27FN2O3/c1-21-6-5-9-24(18-21)30-28-19-27(37-20-29(35)33-26-13-11-25(32)12-14-26)15-10-22(28)16-17-34(30)31(36)23-7-3-2-4-8-23/h2-15,18-19,30H,16-17,20H2,1H3,(H,33,35)/t30-/m0/s1

InChI Key

JWAYJATUNDSQPB-PMERELPUSA-N

MDL Number (MFCD)

MFCD19924427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.496

Distribution Coefficient, logD

6.496

Water Solubility, LogSw

-5.72

Polar Surface Area

46.238

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.10

References: we are preparing a list of scientific research reports with V017-7282 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-7282?
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What is the minimum amount of V017-7282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-7282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-7282
  • 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 V017-7282 available by request