8622-1097 Screening compound: 3-{5-[(4-bromo-2,5-dimethylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine

8622-1097 Screening compound: 3-{5-[(4-bromo-2,5-dimethylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine
8622-1097 Screening compound: 3-{5-[(4-bromo-2,5-dimethylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8622-1097
3-{5-[(4-bromo-2,5-dimethylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine

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

8622-1097

Molecular Formula

C16H14BrN3O2 (C16 H14 BrN3 O2)

Compound Name

3-{5-[(4-bromo-2,5-dimethylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine

IUPAC name

3-{5-[(4-bromo-25-dimethylphenoxy)methyl]-124-oxadiazol-3-yl}pyridine

SMILES

Cc1cc(Br)c(C)cc1OCc1nc(-c2cnccc2)no1

InChI

InChI=1S/C16H14BrN3O2/c1-10-7-14(11(2)6-13(10)17)21-9-15-19-16(20-22-15)12-4-3-5-18-8-12/h3-8H,9H2,1-2H3

InChI Key

OGEKXUKXHQETHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06007302

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.21

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.152

Distribution Coefficient, logD

3.513

Water Solubility, LogSw

-4.13

Polar Surface Area

48.413

Acid Dissociation Constant (pKa)

28.41

Base Dissociation Constant (pKb)

7.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

8622-1097 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 8622-1097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8622-1097?
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What is the minimum amount of 8622-1097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8622-1097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8622-1097
  • 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 8622-1097 available by request