8622-0452 Screening compound: 5-[(4-bromo-3,5-dimethylphenoxy)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole

8622-0452 Screening compound: 5-[(4-bromo-3,5-dimethylphenoxy)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
8622-0452 Screening compound: 5-[(4-bromo-3,5-dimethylphenoxy)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8622-0452
5-[(4-bromo-3,5-dimethylphenoxy)methyl]-3-(4-methoxyphenyl)-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

8622-0452

Molecular Formula

C18H17BrN2O3 (C18 H17 BrN2 O3)

Compound Name

5-[(4-bromo-3,5-dimethylphenoxy)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole

IUPAC name

5-[(4-bromo-35-dimethylphenoxy)methyl]-3-(4-methoxyphenyl)-124-oxadiazole

SMILES

Cc1cc(OCc2nc(-c(cc3)ccc3OC)no2)cc(C)c1Br

InChI

InChI=1S/C18H17BrN2O3/c1-11-8-15(9-12(2)17(11)19)23-10-16-20-18(21-24-16)13-4-6-14(22-3)7-5-13/h4-9H,10H2,1-3H3

InChI Key

GJSAKVZMKYRCFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03992795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.808

Distribution Coefficient, logD

5.808

Water Solubility, LogSw

-5.61

Polar Surface Area

46.353

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-6.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

8622-0452 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8622-0452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8622-0452?
Check Price and Availability of 8622-0452, 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 8622-0452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8622-0452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8622-0452
  • 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 8622-0452 available by request