M876-1306 Screening compound: 5-{[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl}-3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazole

M876-1306 Screening compound: 5-{[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl}-3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazole
M876-1306 Screening compound: 5-{[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl}-3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound M876-1306
5-{[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl}-3-[4-(methylsulfanyl)phenyl]-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

M876-1306

Molecular Formula

C18H12F2N4O2S (C18 H12 F2 N4 O2 S)

Compound Name

5-{[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl}-3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazole

IUPAC name

5-{[5-(35-difluorophenyl)-134-oxadiazol-2-yl]methyl}-3-[4-(methylsulfanyl)phenyl]-124-oxadiazole

SMILES

CSc(cc1)ccc1-c1noc(Cc2nnc(-c3cc(F)cc(F)c3)o2)n1

InChI

InChI=1S/C18H12F2N4O2S/c1-27-14-4-2-10(3-5-14)17-21-15(26-24-17)9-16-22-23-18(25-16)11-6-12(19)8-13(20)7-11/h2-8H,9H2,1H3

InChI Key

BXMZJWBNSDSCGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27556186

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.38

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

4.915

Distribution Coefficient, logD

4.915

Water Solubility, LogSw

-4.76

Polar Surface Area

61.491

Acid Dissociation Constant (pKa)

30.98

Base Dissociation Constant (pKb)

-3.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

M876-1306 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with M876-1306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M876-1306?
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What is the minimum amount of M876-1306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M876-1306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M876-1306
  • 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 M876-1306 available by request