F866-0066 Screening compound: 4-phenyl-N-[2-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)ethyl]butanamide

F866-0066 Screening compound: 4-phenyl-N-[2-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)ethyl]butanamide
F866-0066 Screening compound: 4-phenyl-N-[2-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)ethyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F866-0066
4-phenyl-N-[2-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)ethyl]butanamide

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

F866-0066

Molecular Formula

C21H26N2O3S (C21 H26 N2 O3 S)

Compound Name

4-phenyl-N-[2-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)ethyl]butanamide

IUPAC name

4-phenyl-N-[2-(1234-tetrahydroisoquinoline-2-sulfonyl)ethyl]butanamide

SMILES

O=C(CCCc1ccccc1)NCCS(N(CC1)Cc2c1cccc2)(=O)=O

InChI

InChI=1S/C21H26N2O3S/c24-21(12-6-9-18-7-2-1-3-8-18)22-14-16-27(25,26)23-15-13-19-10-4-5-11-20(19)17-23/h1-5,7-8,10-11H,6,9,12-17H2,(H,22,24)

InChI Key

IGWASUFNMBDGJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08942676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.752

Distribution Coefficient, logD

2.752

Water Solubility, LogSw

-3.27

Polar Surface Area

55.819

Acid Dissociation Constant (pKa)

14.17

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

F866-0066 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F866-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F866-0066?
Check Price and Availability of F866-0066, 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 F866-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F866-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F866-0066
  • 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 F866-0066 available by request