F714-0314 Screening compound: 2-[2-(4-fluorobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-(pyrrolidin-1-yl)ethan-1-one

F714-0314 Screening compound: 2-[2-(4-fluorobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-(pyrrolidin-1-yl)ethan-1-one
F714-0314 Screening compound: 2-[2-(4-fluorobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-(pyrrolidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F714-0314
2-[2-(4-fluorobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-(pyrrolidin-1-yl)ethan-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

F714-0314

Molecular Formula

C21H23FN2O3S (C21 H23 FN2 O3 S)

Compound Name

2-[2-(4-fluorobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-(pyrrolidin-1-yl)ethan-1-one

IUPAC name

2-[2-(4-fluorobenzenesulfonyl)-1234-tetrahydroisoquinolin-1-yl]-1-(pyrrolidin-1-yl)ethan-1-one

SMILES

O=C(CC(c1c(CC2)cccc1)N2S(c(cc1)ccc1F)(=O)=O)N1CCCC1

InChI

InChI=1S/C21H23FN2O3S/c22-17-7-9-18(10-8-17)28(26,27)24-14-11-16-5-1-2-6-19(16)20(24)15-21(25)23-12-3-4-13-23/h1-2,5-10,20H,3-4,11-15H2/t20-/m0/s1

InChI Key

SJEDKKJYBWTMIK-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27187209

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.458

Distribution Coefficient, logD

3.458

Water Solubility, LogSw

-3.69

Polar Surface Area

48.412

Acid Dissociation Constant (pKa)

23.25

Base Dissociation Constant (pKb)

-3.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with F714-0314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F714-0314?
Check Price and Availability of F714-0314, 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 F714-0314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F714-0314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F714-0314
  • 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 F714-0314 available by request