F126-0317 Screening compound: 6-({4-[(azepan-1-yl)methyl]piperidin-1-yl}sulfonyl)-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one

F126-0317 Screening compound: 6-({4-[(azepan-1-yl)methyl]piperidin-1-yl}sulfonyl)-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one
F126-0317 Screening compound: 6-({4-[(azepan-1-yl)methyl]piperidin-1-yl}sulfonyl)-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F126-0317
6-({4-[(azepan-1-yl)methyl]piperidin-1-yl}sulfonyl)-3-methyl-2,3-dihydro-1,3-benzoxazol-2-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

F126-0317

Molecular Formula

C20H29N3O4S (C20 H29 N3 O4 S)

Compound Name

6-({4-[(azepan-1-yl)methyl]piperidin-1-yl}sulfonyl)-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

6-({4-[(azepan-1-yl)methyl]piperidin-1-yl}sulfonyl)-3-methyl-23-dihydro-13-benzoxazol-2-one

SMILES

CN(c(ccc(S(N1CCC(CN2CCCCCC2)CC1)(=O)=O)c1)c1O1)C1=O

InChI

InChI=1S/C20H29N3O4S/c1-21-18-7-6-17(14-19(18)27-20(21)24)28(25,26)23-12-8-16(9-13-23)15-22-10-4-2-3-5-11-22/h6-7,14,16H,2-5,8-13,15H2,1H3

InChI Key

VYEMGGSLUCRJAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14942555

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.924

Distribution Coefficient, logD

0.012

Water Solubility, LogSw

-3.53

Polar Surface Area

58.879

Acid Dissociation Constant (pKa)

26.35

Base Dissociation Constant (pKb)

10.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

F126-0317 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with F126-0317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F126-0317?
Check Price and Availability of F126-0317, 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 F126-0317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F126-0317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F126-0317
  • 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 F126-0317 available by request