F258-0054 Screening compound: 5-chloro-N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methoxy-N-methylbenzene-1-sulfonamide

F258-0054 Screening compound: 5-chloro-N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methoxy-N-methylbenzene-1-sulfonamide
F258-0054 Screening compound: 5-chloro-N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methoxy-N-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F258-0054
5-chloro-N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methoxy-N-methylbenzene-1-sulfonamide

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

F258-0054

Molecular Formula

C18H24ClN3O4S (C18 H24 ClN3 O4 S)

Compound Name

5-chloro-N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methoxy-N-methylbenzene-1-sulfonamide

IUPAC name

5-chloro-N-[2-(5-cyclohexyl-124-oxadiazol-3-yl)ethyl]-2-methoxy-N-methylbenzene-1-sulfonamide

SMILES

CN(CCc1noc(C2CCCCC2)n1)S(c(cc(cc1)Cl)c1OC)(=O)=O

InChI

InChI=1S/C18H24ClN3O4S/c1-22(27(23,24)16-12-14(19)8-9-15(16)25-2)11-10-17-20-18(26-21-17)13-6-4-3-5-7-13/h8-9,12-13H,3-7,10-11H2,1-2H3

InChI Key

QQLDFEYXIWXTBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27110634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.93

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.240

Distribution Coefficient, logD

4.240

Water Solubility, LogSw

-4.51

Polar Surface Area

73.271

Acid Dissociation Constant (pKa)

26.41

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

F258-0054 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 F258-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F258-0054?
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What is the minimum amount of F258-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F258-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F258-0054
  • 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 F258-0054 available by request