6574-0301 Screening compound: 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide

6574-0301 Screening compound: 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
6574-0301 Screening compound: 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6574-0301
3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide

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

6574-0301

Molecular Formula

C14H13N5OS3 (C14 H13 N5 OS3)

Compound Name

3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide

IUPAC name

3-[(5-methyl-134-thiadiazol-2-yl)sulfanyl]-N-(3-phenyl-124-thiadiazol-5-yl)propanamide

SMILES

Cc1nnc(SCCC(Nc2nc(-c3ccccc3)ns2)=O)s1

InChI

InChI=1S/C14H13N5OS3/c1-9-17-18-14(22-9)21-8-7-11(20)15-13-16-12(19-23-13)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,15,16,19,20)

InChI Key

LNMRPGULDBJBFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05866055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.49

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

3.026

Distribution Coefficient, logD

3.025

Water Solubility, LogSw

-3.31

Polar Surface Area

66.375

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

-0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

6574-0301 in Drug Discovery

Included in Screening Libraries

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

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Ion Channels Annotated Library (353 compounds)

Selective Target Activity Profiling Library (14702 compounds)

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 6574-0301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6574-0301?
Check Price and Availability of 6574-0301, 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 6574-0301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6574-0301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6574-0301
  • 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 6574-0301 available by request