8388-0519 Screening compound: tert-butyl 4-(5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate

8388-0519 Screening compound: tert-butyl 4-(5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate
8388-0519 Screening compound: tert-butyl 4-(5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8388-0519
tert-butyl 4-(5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1,3,4-oxadiazol-2-yl)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

8388-0519

Molecular Formula

C21H27N3O3S (C21 H27 N3 O3 S)

Compound Name

tert-butyl 4-(5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate

IUPAC name

tert-butyl 4-(5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-134-oxadiazol-2-yl)piperidine-1-carboxylate

SMILES

CC(C)(C)OC(N(CC1)CCC1c(o1)nnc1SC/C=C/c1ccccc1)=O

InChI

InChI=1S/C21H27N3O3S/c1-21(2,3)27-20(25)24-13-11-17(12-14-24)18-22-23-19(26-18)28-15-7-10-16-8-5-4-6-9-16/h4-10,17H,11-15H2,1-3H3

InChI Key

WSOBSYZHINCJOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08741648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.023

Distribution Coefficient, logD

5.023

Water Solubility, LogSw

-4.60

Polar Surface Area

52.146

Acid Dissociation Constant (pKa)

26.55

Base Dissociation Constant (pKb)

1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

References: we are preparing a list of scientific research reports with 8388-0519 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8388-0519?
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What is the minimum amount of 8388-0519 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8388-0519
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8388-0519
  • 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 8388-0519 available by request