8388-0002 Screening compound: tert-butyl N-{1-[5-(ethylsulfanyl)-1,3,4-oxadiazol-2-yl]ethyl}carbamate

8388-0002 Screening compound: tert-butyl N-{1-[5-(ethylsulfanyl)-1,3,4-oxadiazol-2-yl]ethyl}carbamate
8388-0002 Screening compound: tert-butyl N-{1-[5-(ethylsulfanyl)-1,3,4-oxadiazol-2-yl]ethyl}carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8388-0002
tert-butyl N-{1-[5-(ethylsulfanyl)-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

8388-0002

Molecular Formula

C11H19N3O3S (C11 H19 N3 O3 S)

Compound Name

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

IUPAC name

tert-butyl N-[(1S)-1-[5-(ethylsulfanyl)-134-oxadiazol-2-yl]ethyl]carbamate

SMILES

CCSc1nnc([C@H](C)NC(OC(C)(C)C)=O)o1

InChI

InChI=1S/C11H19N3O3S/c1-6-18-10-14-13-8(16-10)7(2)12-9(15)17-11(3,4)5/h7H,6H2,1-5H3,(H,12,15)/t7-/m0/s1

InChI Key

MHIFYFKOTBCSGQ-ZETCQYMHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.727

Distribution Coefficient, logD

2.727

Water Solubility, LogSw

-2.98

Polar Surface Area

61.646

Acid Dissociation Constant (pKa)

13.95

Base Dissociation Constant (pKb)

0.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

72.70

8388-0002 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Pool

References: we are preparing a list of scientific research reports with 8388-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8388-0002?
Check Price and Availability of 8388-0002, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8388-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8388-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8388-0002
  • 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 8388-0002 available by request