F118-0189 Screening compound: 4-[2-(1-AZEPANYL)-2-OXOETHYL]-6-(PIPERIDINOCARBONYL)-2H-1,4-BENZOXAZIN-3(4H)-ONE

F118-0189 Screening compound: 4-[2-(1-AZEPANYL)-2-OXOETHYL]-6-(PIPERIDINOCARBONYL)-2H-1,4-BENZOXAZIN-3(4H)-ONE
F118-0189 Screening compound: 4-[2-(1-AZEPANYL)-2-OXOETHYL]-6-(PIPERIDINOCARBONYL)-2H-1,4-BENZOXAZIN-3(4H)-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound F118-0189
4-[2-(1-AZEPANYL)-2-OXOETHYL]-6-(PIPERIDINOCARBONYL)-2H-1,4-BENZOXAZIN-3(4H)-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

F118-0189

Molecular Formula

C22H29N3O4 (C22 H29 N3 O4)

Compound Name

4-[2-(1-AZEPANYL)-2-OXOETHYL]-6-(PIPERIDINOCARBONYL)-2H-1,4-BENZOXAZIN-3(4H)-ONE

IUPAC name

n/a

SMILES

O=C(CN1c(cc(cc2)C(N3CCCCC3)=O)c2OCC1=O)N1CCCCCC1

InChI

InChI=1S/C22H29N3O4/c26-20(23-10-4-1-2-5-11-23)15-25-18-14-17(8-9-19(18)29-16-21(25)27)22(28)24-12-6-3-7-13-24/h8-9,14H,1-7,10-13,15-16H2

InChI Key

ZZYNFQMSJYTQMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27102645

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.507

Distribution Coefficient, logD

1.507

Water Solubility, LogSw

-2.10

Polar Surface Area

57.440

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

4.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.10

F118-0189 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 compounds)

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F118-0189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F118-0189?
Check Price and Availability of F118-0189, 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 F118-0189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F118-0189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F118-0189
  • 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 F118-0189 available by request