F061-0891 Screening compound: N-cyclooctyl-1-({5-[(1E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-3-carboxamide

F061-0891 Screening compound: N-cyclooctyl-1-({5-[(1E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-3-carboxamide
F061-0891 Screening compound: N-cyclooctyl-1-({5-[(1E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F061-0891
N-cyclooctyl-1-({5-[(1E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-3-carboxamide

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

F061-0891

Molecular Formula

C26H34FN3O4S (C26 H34 FN3 O4 S)

Compound Name

N-cyclooctyl-1-({5-[(1E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-3-carboxamide

IUPAC name

N-cyclooctyl-1-({5-[(1E)-2-(2-fluorophenyl)ethenyl]-3-methyl-12-oxazol-4-yl}sulfonyl)piperidine-3-carboxamide

SMILES

Cc1noc(/C=C/c(cccc2)c2F)c1S(N(CCC1)CC1C(NC1CCCCCCC1)=O)(=O)=O

InChI

InChI=1S/C26H34FN3O4S/c1-19-25(24(34-29-19)16-15-20-10-7-8-14-23(20)27)35(32,33)30-17-9-11-21(18-30)26(31)28-22-12-5-3-2-4-6-13-22/h7-8,10,14-16,21-22H,2-6,9,11-13,17-18H2,1H3,(H,28,31)/t21-/m0/s1

InChI Key

SPHAQVGSQNYATL-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14938695

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.651

Distribution Coefficient, logD

4.651

Water Solubility, LogSw

-4.23

Polar Surface Area

77.868

Acid Dissociation Constant (pKa)

13.75

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.80

F061-0891 in Drug Discovery

Included in Screening Libraries

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

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F061-0891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F061-0891?
Check Price and Availability of F061-0891, 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 F061-0891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F061-0891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F061-0891
  • 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 F061-0891 available by request