F333-0078 Screening compound: N-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-methylbenzamide

F333-0078 Screening compound: N-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-methylbenzamide
F333-0078 Screening compound: N-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F333-0078
N-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-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

F333-0078

Molecular Formula

C12H13N3OS2 (C12 H13 N3 OS2)

Compound Name

N-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-methylbenzamide

IUPAC name

N-[3-(ethylsulfanyl)-124-thiadiazol-5-yl]-3-methylbenzamide

SMILES

CCSc1nsc(NC(c2cc(C)ccc2)=O)n1

InChI

InChI=1S/C12H13N3OS2/c1-3-17-12-14-11(18-15-12)13-10(16)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3,(H,13,14,15,16)

InChI Key

MDHIIIAZUXHXQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27116887

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.759

Distribution Coefficient, logD

3.532

Water Solubility, LogSw

-3.83

Polar Surface Area

42.911

Acid Dissociation Constant (pKa)

7.56

Base Dissociation Constant (pKb)

-2.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

F333-0078 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F333-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F333-0078?
Check Price and Availability of F333-0078, 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 F333-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F333-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F333-0078
  • 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 F333-0078 available by request