F845-0678 Screening compound: 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-(3-methylphenyl)thiophene-3-sulfonamide

F845-0678 Screening compound: 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-(3-methylphenyl)thiophene-3-sulfonamide
F845-0678 Screening compound: 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-(3-methylphenyl)thiophene-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F845-0678
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-(3-methylphenyl)thiophene-3-sulfonamide

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

F845-0678

Molecular Formula

C17H17N3O3S2 (C17 H17 N3 O3 S2)

Compound Name

2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-(3-methylphenyl)thiophene-3-sulfonamide

IUPAC name

2-(3-cyclopropyl-124-oxadiazol-5-yl)-N-methyl-N-(3-methylphenyl)thiophene-3-sulfonamide

SMILES

Cc1cccc(N(C)S(c2c(-c3nc(C4CC4)no3)scc2)(=O)=O)c1

InChI

InChI=1S/C17H17N3O3S2/c1-11-4-3-5-13(10-11)20(2)25(21,22)14-8-9-24-15(14)17-18-16(19-23-17)12-6-7-12/h3-5,8-10,12H,6-7H2,1-2H3

InChI Key

RKHAOULTZBKQBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22589726

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.524

Distribution Coefficient, logD

4.524

Water Solubility, LogSw

-4.37

Polar Surface Area

66.007

Acid Dissociation Constant (pKa)

24.36

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

F845-0678 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F845-0678 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F845-0678?
Check Price and Availability of F845-0678, 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 F845-0678 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F845-0678
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F845-0678
  • 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 F845-0678 available by request