8016-5769 Screening compound: 2-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]phenyl ethyl ether

8016-5769 Screening compound: 2-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]phenyl ethyl ether
8016-5769 Screening compound: 2-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]phenyl ethyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-5769
2-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]phenyl ethyl ether

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

8016-5769

Molecular Formula

C11H11ClN2O2 (C11 H11 ClN2 O2)

Compound Name

2-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]phenyl ethyl ether

IUPAC name

2-(chloromethyl)-5-(2-ethoxyphenyl)-134-oxadiazole

SMILES

CCOc(cccc1)c1-c1nnc(CCl)o1

InChI

InChI=1S/C11H11ClN2O2/c1-2-15-9-6-4-3-5-8(9)11-14-13-10(7-12)16-11/h3-6H,2,7H2,1H3

InChI Key

LUYBUCONPKOOCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05857488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

238.67

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.208

Distribution Coefficient, logD

2.208

Water Solubility, LogSw

-2.77

Polar Surface Area

37.630

Acid Dissociation Constant (pKa)

28.16

Base Dissociation Constant (pKb)

-2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.27

8016-5769 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8016-5769 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-5769?
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What is the minimum amount of 8016-5769 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-5769
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-5769
  • 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 8016-5769 available by request