SC16-0141 Screening compound: 1-[4-(5-{[1-(3,4-difluorobenzoyl)-3-azetanyl]methyl}-1,2,4-oxadiazol-3-yl)piperidino]-1-ethanone

SC16-0141 Screening compound: 1-[4-(5-{[1-(3,4-difluorobenzoyl)-3-azetanyl]methyl}-1,2,4-oxadiazol-3-yl)piperidino]-1-ethanone
SC16-0141 Screening compound: 1-[4-(5-{[1-(3,4-difluorobenzoyl)-3-azetanyl]methyl}-1,2,4-oxadiazol-3-yl)piperidino]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC16-0141
1-[4-(5-{[1-(3,4-difluorobenzoyl)-3-azetanyl]methyl}-1,2,4-oxadiazol-3-yl)piperidino]-1-ethanone

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

SC16-0141

Molecular Formula

C20H22F2N4O3 (C20 H22 F2 N4 O3)

Compound Name

1-[4-(5-{[1-(3,4-difluorobenzoyl)-3-azetanyl]methyl}-1,2,4-oxadiazol-3-yl)piperidino]-1-ethanone

IUPAC name

1-[4-(5-{[1-(34-difluorobenzoyl)azetidin-3-yl]methyl}-124-oxadiazol-3-yl)piperidin-1-yl]ethan-1-one

SMILES

CC(N(CC1)CCC1c1noc(CC(C2)CN2C(c(cc2)cc(F)c2F)=O)n1)=O

InChI

InChI=1S/C20H22F2N4O3/c1-12(27)25-6-4-14(5-7-25)19-23-18(29-24-19)8-13-10-26(11-13)20(28)15-2-3-16(21)17(22)9-15/h2-3,9,13-14H,4-8,10-11H2,1H3

InChI Key

DOXBTSHREOPSFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32257323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.351

Distribution Coefficient, logD

2.351

Water Solubility, LogSw

-2.70

Polar Surface Area

65.544

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with SC16-0141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC16-0141?
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What is the minimum amount of SC16-0141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC16-0141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC16-0141
  • 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 SC16-0141 available by request