V016-3054 Screening compound: 2-{[2-cyclopropanecarbonyl-1-(3-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-ethylbutanamide

V016-3054 Screening compound: 2-{[2-cyclopropanecarbonyl-1-(3-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-ethylbutanamide
V016-3054 Screening compound: 2-{[2-cyclopropanecarbonyl-1-(3-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-ethylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-3054
2-{[2-cyclopropanecarbonyl-1-(3-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-ethylbutanamide

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

V016-3054

Molecular Formula

C25H29FN2O3 (C25 H29 FN2 O3)

Compound Name

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

IUPAC name

2-{[2-cyclopropanecarbonyl-1-(3-fluorophenyl)-1234-tetrahydroisoquinolin-7-yl]oxy}-N-ethylbutanamide

SMILES

CCC(C(NCC)=O)Oc1cc(C(c2cccc(F)c2)N(CC2)C(C3CC3)=O)c2cc1

InChI

InChI=1S/C25H29FN2O3/c1-3-22(24(29)27-4-2)31-20-11-10-16-12-13-28(25(30)17-8-9-17)23(21(16)15-20)18-6-5-7-19(26)14-18/h5-7,10-11,14-15,17,22-23H,3-4,8-9,12-13H2,1-2H3,(H,27,29)

InChI Key

HZPFFIQLZUWDRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19916543

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.52

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

4.556

Distribution Coefficient, logD

4.556

Water Solubility, LogSw

-4.32

Polar Surface Area

47.367

Acid Dissociation Constant (pKa)

14.82

Base Dissociation Constant (pKb)

5.19

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.00

References: we are preparing a list of scientific research reports with V016-3054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-3054?
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What is the minimum amount of V016-3054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-3054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-3054
  • 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 V016-3054 available by request