8013-0141 Screening compound: ethyl 1-{[5-(2-chlorophenyl)-2-sulfanylidene-2,3-dihydro-1,3,4-oxadiazol-3-yl]methyl}piperidine-4-carboxylate

8013-0141 Screening compound: ethyl 1-{[5-(2-chlorophenyl)-2-sulfanylidene-2,3-dihydro-1,3,4-oxadiazol-3-yl]methyl}piperidine-4-carboxylate
8013-0141 Screening compound: ethyl 1-{[5-(2-chlorophenyl)-2-sulfanylidene-2,3-dihydro-1,3,4-oxadiazol-3-yl]methyl}piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0141
ethyl 1-{[5-(2-chlorophenyl)-2-sulfanylidene-2,3-dihydro-1,3,4-oxadiazol-3-yl]methyl}piperidine-4-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

8013-0141

Molecular Formula

C17H20ClN3O3S (C17 H20 ClN3 O3 S)

Compound Name

ethyl 1-{[5-(2-chlorophenyl)-2-sulfanylidene-2,3-dihydro-1,3,4-oxadiazol-3-yl]methyl}piperidine-4-carboxylate

IUPAC name

ethyl 1-{[5-(2-chlorophenyl)-2-sulfanylidene-23-dihydro-134-oxadiazol-3-yl]methyl}piperidine-4-carboxylate

SMILES

CCOC(C1CCN(CN2N=C(c(cccc3)c3Cl)OC2=S)CC1)=O

InChI

InChI=1S/C17H20ClN3O3S/c1-2-23-16(22)12-7-9-20(10-8-12)11-21-17(25)24-15(19-21)13-5-3-4-6-14(13)18/h3-6,12H,2,7-11H2,1H3

InChI Key

DHWXDUZMVCCQEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03175061

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.88

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.480

Distribution Coefficient, logD

2.271

Water Solubility, LogSw

-3.86

Polar Surface Area

49.369

Acid Dissociation Constant (pKa)

23.55

Base Dissociation Constant (pKb)

8.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

References: we are preparing a list of scientific research reports with 8013-0141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0141?
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What is the minimum amount of 8013-0141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0141
  • 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 8013-0141 available by request