F820-0518 Screening compound: 6-[(4-benzylpiperidin-1-yl)sulfonyl]-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1,3-benzoxazol-2-one

F820-0518 Screening compound: 6-[(4-benzylpiperidin-1-yl)sulfonyl]-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1,3-benzoxazol-2-one
F820-0518 Screening compound: 6-[(4-benzylpiperidin-1-yl)sulfonyl]-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F820-0518
6-[(4-benzylpiperidin-1-yl)sulfonyl]-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)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

F820-0518

Molecular Formula

C24H26N4O5S (C24 H26 N4 O5 S)

Compound Name

6-[(4-benzylpiperidin-1-yl)sulfonyl]-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

6-[(4-benzylpiperidin-1-yl)sulfonyl]-3-[(5-ethyl-124-oxadiazol-3-yl)methyl]-23-dihydro-13-benzoxazol-2-one

SMILES

CCc1nc(CN(c(ccc(S(N2CCC(Cc3ccccc3)CC2)(=O)=O)c2)c2O2)C2=O)no1

InChI

InChI=1S/C24H26N4O5S/c1-2-23-25-22(26-33-23)16-28-20-9-8-19(15-21(20)32-24(28)29)34(30,31)27-12-10-18(11-13-27)14-17-6-4-3-5-7-17/h3-9,15,18H,2,10-14,16H2,1H3

InChI Key

YKDAPLCVZREQQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27195650

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.412

Distribution Coefficient, logD

4.412

Water Solubility, LogSw

-4.40

Polar Surface Area

87.111

Acid Dissociation Constant (pKa)

25.46

Base Dissociation Constant (pKb)

-3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

F820-0518 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 F820-0518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F820-0518?
Check Price and Availability of F820-0518, 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 F820-0518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F820-0518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F820-0518
  • 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 F820-0518 available by request