0591-5153 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide

0591-5153 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
0591-5153 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0591-5153
N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide

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

0591-5153

Molecular Formula

C10H9N3OS (C10 H9 N3 OS)

Compound Name

N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide

IUPAC name

N-(5-methyl-134-thiadiazol-2-yl)benzamide

SMILES

Cc1nnc(NC(c2ccccc2)=O)s1

InChI

InChI=1S/C10H9N3OS/c1-7-12-13-10(15-7)11-9(14)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,13,14)

InChI Key

KGDDBWOFFAWDJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00500791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

219.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.843

Distribution Coefficient, logD

1.086

Water Solubility, LogSw

-2.33

Polar Surface Area

46.681

Acid Dissociation Constant (pKa)

6.73

Base Dissociation Constant (pKb)

-2.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

0591-5153 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

Fragments Library (11262 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0591-5153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0591-5153?
Check Price and Availability of 0591-5153, 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 0591-5153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0591-5153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0591-5153
  • 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 0591-5153 available by request