8436-0275 Screening compound: 3-({[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzonitrile

8436-0275 Screening compound: 3-({[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzonitrile
8436-0275 Screening compound: 3-({[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8436-0275
3-({[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzonitrile

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

8436-0275

Molecular Formula

C18H15N3O3S (C18 H15 N3 O3 S)

Compound Name

3-({[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzonitrile

IUPAC name

3-({[5-(24-dimethoxyphenyl)-134-oxadiazol-2-yl]sulfanyl}methyl)benzonitrile

SMILES

COc(cc1)cc(OC)c1-c(o1)nnc1SCc1cc(C#N)ccc1

InChI

InChI=1S/C18H15N3O3S/c1-22-14-6-7-15(16(9-14)23-2)17-20-21-18(24-17)25-11-13-5-3-4-12(8-13)10-19/h3-9H,11H2,1-2H3

InChI Key

CPYNVUJDCUEJNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10465629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.092

Distribution Coefficient, logD

3.092

Water Solubility, LogSw

-3.35

Polar Surface Area

62.295

Acid Dissociation Constant (pKa)

24.68

Base Dissociation Constant (pKb)

-1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8436-0275 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

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

KRAS-Targeted Library (16000 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 8436-0275 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8436-0275?
Check Price and Availability of 8436-0275, 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 8436-0275 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8436-0275
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8436-0275
  • 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 8436-0275 available by request