V015-9857 Screening compound: 2-{[1-(3-FLUOROPHENYL)-2-PROPANOYL-1,2,3,4-TETRAHYDROISOQUINOLIN-7-YL]OXY}-1-(PYRROLIDIN-1-YL)BUTAN-1-ONE

V015-9857 Screening compound: 2-{[1-(3-FLUOROPHENYL)-2-PROPANOYL-1,2,3,4-TETRAHYDROISOQUINOLIN-7-YL]OXY}-1-(PYRROLIDIN-1-YL)BUTAN-1-ONE
V015-9857 Screening compound: 2-{[1-(3-FLUOROPHENYL)-2-PROPANOYL-1,2,3,4-TETRAHYDROISOQUINOLIN-7-YL]OXY}-1-(PYRROLIDIN-1-YL)BUTAN-1-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-9857
2-{[1-(3-FLUOROPHENYL)-2-PROPANOYL-1,2,3,4-TETRAHYDROISOQUINOLIN-7-YL]OXY}-1-(PYRROLIDIN-1-YL)BUTAN-1-ONE

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

V015-9857

Molecular Formula

C26H31FN2O3 (C26 H31 FN2 O3)

Compound Name

2-{[1-(3-FLUOROPHENYL)-2-PROPANOYL-1,2,3,4-TETRAHYDROISOQUINOLIN-7-YL]OXY}-1-(PYRROLIDIN-1-YL)BUTAN-1-ONE

IUPAC name

2-{[1-(3-fluorophenyl)-2-propanoyl-1234-tetrahydroisoquinolin-7-yl]oxy}-1-(pyrrolidin-1-yl)butan-1-one

SMILES

CCC(C(N1CCCC1)=O)Oc1cc(C(c2cccc(F)c2)N(CC2)C(CC)=O)c2cc1

InChI

InChI=1S/C26H31FN2O3/c1-3-23(26(31)28-13-5-6-14-28)32-21-11-10-18-12-15-29(24(30)4-2)25(22(18)17-21)19-8-7-9-20(27)16-19/h7-11,16-17,23,25H,3-6,12-15H2,1-2H3

InChI Key

FQHZUWCSXIXOFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19917004

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.992

Distribution Coefficient, logD

4.992

Water Solubility, LogSw

-4.72

Polar Surface Area

39.292

Acid Dissociation Constant (pKa)

22.57

Base Dissociation Constant (pKb)

-1.47

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.20

References: we are preparing a list of scientific research reports with V015-9857 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-9857?
Check Price and Availability of V015-9857, 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 V015-9857 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-9857
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-9857
  • 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 V015-9857 available by request