S341-1794 Screening compound: ethyl 4-[5-(2-fluorophenyl)-1,2,4-oxadiazole-3-amido]piperidine-1-carboxylate

S341-1794 Screening compound: ethyl 4-[5-(2-fluorophenyl)-1,2,4-oxadiazole-3-amido]piperidine-1-carboxylate
S341-1794 Screening compound: ethyl 4-[5-(2-fluorophenyl)-1,2,4-oxadiazole-3-amido]piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound S341-1794
ethyl 4-[5-(2-fluorophenyl)-1,2,4-oxadiazole-3-amido]piperidine-1-carboxylate

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

S341-1794

Molecular Formula

C17H19FN4O4 (C17 H19 FN4 O4)

Compound Name

ethyl 4-[5-(2-fluorophenyl)-1,2,4-oxadiazole-3-amido]piperidine-1-carboxylate

IUPAC name

ethyl 4-[5-(2-fluorophenyl)-124-oxadiazole-3-amido]piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NC(c1noc(-c(cccc2)c2F)n1)=O)=O

InChI

InChI=1S/C17H19FN4O4/c1-2-25-17(24)22-9-7-11(8-10-22)19-15(23)14-20-16(26-21-14)12-5-3-4-6-13(12)18/h3-6,11H,2,7-10H2,1H3,(H,19,23)

InChI Key

WLTHGMCGERYIKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28122437

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.351

Distribution Coefficient, logD

2.351

Water Solubility, LogSw

-2.84

Polar Surface Area

78.835

Acid Dissociation Constant (pKa)

15.95

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

S341-1794 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 S341-1794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S341-1794?
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What is the minimum amount of S341-1794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S341-1794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S341-1794
  • 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 S341-1794 available by request