4100-3036 Screening compound: 2,4-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide

4100-3036 Screening compound: 2,4-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
4100-3036 Screening compound: 2,4-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4100-3036
2,4-dimethoxy-N-(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

4100-3036

Molecular Formula

C11H11N3O3S (C11 H11 N3 O3 S)

Compound Name

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

IUPAC name

24-dimethoxy-N-(134-thiadiazol-2-yl)benzamide

SMILES

COc(cc1)cc(OC)c1C(Nc1nncs1)=O

InChI

InChI=1S/C11H11N3O3S/c1-16-7-3-4-8(9(5-7)17-2)10(15)13-11-14-12-6-18-11/h3-6H,1-2H3,(H,13,14,15)

InChI Key

CBBLUPCVEXDGFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00834315

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

265.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.649

Distribution Coefficient, logD

0.972

Water Solubility, LogSw

-2.69

Polar Surface Area

62.079

Acid Dissociation Constant (pKa)

6.83

Base Dissociation Constant (pKb)

-3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

4100-3036 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Fragments Library (11262 compounds)

Human Receptors Annotated Library (5376 compounds)

Proline Kinase Library (2105 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4100-3036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4100-3036?
Check Price and Availability of 4100-3036, 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 4100-3036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4100-3036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4100-3036
  • 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 4100-3036 available by request