8008-8955 Screening compound: 3-methyl-N-{5-[(1E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl}benzamide

8008-8955 Screening compound: 3-methyl-N-{5-[(1E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl}benzamide
8008-8955 Screening compound: 3-methyl-N-{5-[(1E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-8955
3-methyl-N-{5-[(1E)-2-phenylethenyl]-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

8008-8955

Molecular Formula

C18H15N3OS (C18 H15 N3 OS)

Compound Name

3-methyl-N-{5-[(1E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl}benzamide

IUPAC name

3-methyl-N-{5-[(1E)-2-phenylethenyl]-134-thiadiazol-2-yl}benzamide

SMILES

Cc1cccc(C(Nc2nnc(/C=C/c3ccccc3)s2)=O)c1

InChI

InChI=1S/C18H15N3OS/c1-13-6-5-9-15(12-13)17(22)19-18-21-20-16(23-18)11-10-14-7-3-2-4-8-14/h2-12H,1H3,(H,19,21,22)

InChI Key

FUPIDELLVFUEBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01131328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.493

Distribution Coefficient, logD

3.818

Water Solubility, LogSw

-4.39

Polar Surface Area

47.098

Acid Dissociation Constant (pKa)

6.83

Base Dissociation Constant (pKb)

-6.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

8008-8955 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antifungal Library (16415 compounds)

Antimitotic Tubulin Library (17355 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8008-8955 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-8955?
Check Price and Availability of 8008-8955, 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 8008-8955 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-8955
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-8955
  • 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 8008-8955 available by request