8388-0546 Screening compound: tert-butyl 4-(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate

8388-0546 Screening compound: tert-butyl 4-(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate
8388-0546 Screening compound: tert-butyl 4-(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8388-0546
tert-butyl 4-(5-{[2-(4-chlorophenyl)-2-oxoethyl]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

8388-0546

Molecular Formula

C20H24ClN3O4S (C20 H24 ClN3 O4 S)

Compound Name

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

IUPAC name

tert-butyl 4-(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-134-oxadiazol-2-yl)piperidine-1-carboxylate

SMILES

CC(C)(C)OC(N(CC1)CCC1c(o1)nnc1SCC(c(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C20H24ClN3O4S/c1-20(2,3)28-19(26)24-10-8-14(9-11-24)17-22-23-18(27-17)29-12-16(25)13-4-6-15(21)7-5-13/h4-7,14H,8-12H2,1-3H3

InChI Key

BQRZKXRGALWIGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08568605

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.95

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.368

Distribution Coefficient, logD

4.368

Water Solubility, LogSw

-4.70

Polar Surface Area

65.393

Acid Dissociation Constant (pKa)

17.17

Base Dissociation Constant (pKb)

1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 8388-0546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8388-0546?
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What is the minimum amount of 8388-0546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8388-0546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8388-0546
  • 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 8388-0546 available by request