8020-5822 Screening compound: 5-(morpholinomethyl)-1,3,4-thiadiazole-2(3H)-thione

8020-5822 Screening compound: 5-(morpholinomethyl)-1,3,4-thiadiazole-2(3H)-thione
8020-5822 Screening compound: 5-(morpholinomethyl)-1,3,4-thiadiazole-2(3H)-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-5822
5-(morpholinomethyl)-1,3,4-thiadiazole-2(3H)-thione

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

8020-5822

Molecular Formula

C7H11N3OS2 (C7 H11 N3 OS2)

Compound Name

5-(morpholinomethyl)-1,3,4-thiadiazole-2(3H)-thione

IUPAC name

5-[(morpholin-4-yl)methyl]-23-dihydro-134-thiadiazole-2-thione

SMILES

S=C1SC(CN2CCOCC2)=NN1

InChI

InChI=1S/C7H11N3OS2/c12-7-9-8-6(13-7)5-10-1-3-11-4-2-10/h1-5H2,(H,9,12)

InChI Key

WXCOOVSVXYXNIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26098102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

217.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.627

Distribution Coefficient, logD

-2.697

Water Solubility, LogSw

-1.25

Polar Surface Area

35.112

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

5.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

71.43

8020-5822 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8020-5822 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-5822?
Check Price and Availability of 8020-5822, 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 8020-5822 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-5822
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-5822
  • 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 8020-5822 available by request