3180-0052 Screening compound: N-{5-[2-(4-methoxybenzenesulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-4-methylbenzamide

3180-0052 Screening compound: N-{5-[2-(4-methoxybenzenesulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-4-methylbenzamide
3180-0052 Screening compound: N-{5-[2-(4-methoxybenzenesulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3180-0052
N-{5-[2-(4-methoxybenzenesulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-4-methylbenzamide

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

3180-0052

Molecular Formula

C19H19N3O4S2 (C19 H19 N3 O4 S2)

Compound Name

N-{5-[2-(4-methoxybenzenesulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-4-methylbenzamide

IUPAC name

N-{5-[2-(4-methoxybenzenesulfonyl)ethyl]-134-thiadiazol-2-yl}-4-methylbenzamide

SMILES

Cc(cc1)ccc1C(Nc1nnc(CCS(c(cc2)ccc2OC)(=O)=O)s1)=O

InChI

InChI=1S/C19H19N3O4S2/c1-13-3-5-14(6-4-13)18(23)20-19-22-21-17(27-19)11-12-28(24,25)16-9-7-15(26-2)8-10-16/h3-10H,11-12H2,1-2H3,(H,20,22,23)

InChI Key

ZLARRGKFTPWCRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02225649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.408

Distribution Coefficient, logD

2.585

Water Solubility, LogSw

-3.78

Polar Surface Area

83.678

Acid Dissociation Constant (pKa)

6.65

Base Dissociation Constant (pKb)

-3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

3180-0052 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Nucleic Acid Ligands (8311 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Others
  • Kinases

References: we are preparing a list of scientific research reports with 3180-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3180-0052?
Check Price and Availability of 3180-0052, 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 3180-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3180-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3180-0052
  • 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 3180-0052 available by request