8388-0417 Screening compound: tert-butyl N-[2-(5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)ethyl]carbamate

8388-0417 Screening compound: tert-butyl N-[2-(5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)ethyl]carbamate
8388-0417 Screening compound: tert-butyl N-[2-(5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)ethyl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8388-0417
tert-butyl N-[2-(5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)ethyl]carbamate

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

8388-0417

Molecular Formula

C16H20ClN3O3S (C16 H20 ClN3 O3 S)

Compound Name

tert-butyl N-[2-(5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)ethyl]carbamate

IUPAC name

tert-butyl N-[2-(5-{[(4-chlorophenyl)methyl]sulfanyl}-134-oxadiazol-2-yl)ethyl]carbamate

SMILES

CC(C)(C)OC(NCCc(o1)nnc1SCc(cc1)ccc1Cl)=O

InChI

InChI=1S/C16H20ClN3O3S/c1-16(2,3)23-14(21)18-9-8-13-19-20-15(22-13)24-10-11-4-6-12(17)7-5-11/h4-7H,8-10H2,1-3H3,(H,18,21)

InChI Key

PGJHCSLMLVAFSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04022573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.87

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.454

Distribution Coefficient, logD

3.454

Water Solubility, LogSw

-4.13

Polar Surface Area

61.718

Acid Dissociation Constant (pKa)

15.12

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

8388-0417 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8388-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8388-0417?
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What is the minimum amount of 8388-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8388-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8388-0417
  • 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 8388-0417 available by request