M375-0098 Screening compound: 3-[2-(benzenesulfonyl)ethyl]-5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole

M375-0098 Screening compound: 3-[2-(benzenesulfonyl)ethyl]-5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole
M375-0098 Screening compound: 3-[2-(benzenesulfonyl)ethyl]-5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound M375-0098
3-[2-(benzenesulfonyl)ethyl]-5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole

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

M375-0098

Molecular Formula

C17H15FN2O3S (C17 H15 FN2 O3 S)

Compound Name

3-[2-(benzenesulfonyl)ethyl]-5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole

IUPAC name

3-[2-(benzenesulfonyl)ethyl]-5-[(3-fluorophenyl)methyl]-124-oxadiazole

SMILES

O=S(CCc1noc(Cc2cc(F)ccc2)n1)(c1ccccc1)=O

InChI

InChI=1S/C17H15FN2O3S/c18-14-6-4-5-13(11-14)12-17-19-16(20-23-17)9-10-24(21,22)15-7-2-1-3-8-15/h1-8,11H,9-10,12H2

InChI Key

DPFLIKHTUDVYMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27539344

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.046

Distribution Coefficient, logD

3.046

Water Solubility, LogSw

-3.36

Polar Surface Area

61.337

Acid Dissociation Constant (pKa)

20.92

Base Dissociation Constant (pKb)

-2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

M375-0098 in Drug Discovery

Included in Screening Libraries

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

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with M375-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M375-0098?
Check Price and Availability of M375-0098, 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 M375-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M375-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M375-0098
  • 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 M375-0098 available by request