F333-0072 Screening compound: N-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]-2-methoxybenzamide

F333-0072 Screening compound: N-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]-2-methoxybenzamide
F333-0072 Screening compound: N-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F333-0072
N-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]-2-methoxybenzamide

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

F333-0072

Molecular Formula

C12H13N3O2S2 (C12 H13 N3 O2 S2)

Compound Name

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

IUPAC name

N-[3-(ethylsulfanyl)-124-thiadiazol-5-yl]-2-methoxybenzamide

SMILES

CCSc1nsc(NC(c(cccc2)c2OC)=O)n1

InChI

InChI=1S/C12H13N3O2S2/c1-3-18-12-14-11(19-15-12)13-10(16)8-6-4-5-7-9(8)17-2/h4-7H,3H2,1-2H3,(H,13,14,15,16)

InChI Key

AQTKHBNQSMWSIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27116886

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.213

Distribution Coefficient, logD

2.531

Water Solubility, LogSw

-3.73

Polar Surface Area

50.541

Acid Dissociation Constant (pKa)

6.82

Base Dissociation Constant (pKb)

-2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

F333-0072 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 F333-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F333-0072?
Check Price and Availability of F333-0072, 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 F333-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F333-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F333-0072
  • 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 F333-0072 available by request