6566-1594 Screening compound: 5-[(2-bromo-4-chlorophenoxy)methyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole

6566-1594 Screening compound: 5-[(2-bromo-4-chlorophenoxy)methyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
6566-1594 Screening compound: 5-[(2-bromo-4-chlorophenoxy)methyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 6566-1594
5-[(2-bromo-4-chlorophenoxy)methyl]-3-(3,4-dimethoxyphenyl)-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

6566-1594

Molecular Formula

C17H14BrClN2O4 (C17 H14 BrClN2 O4)

Compound Name

5-[(2-bromo-4-chlorophenoxy)methyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole

IUPAC name

5-[(2-bromo-4-chlorophenoxy)methyl]-3-(34-dimethoxyphenyl)-124-oxadiazole

SMILES

COc(ccc(-c1noc(COc(ccc(Cl)c2)c2Br)n1)c1)c1OC

InChI

InChI=1S/C17H14BrClN2O4/c1-22-14-5-3-10(7-15(14)23-2)17-20-16(25-21-17)9-24-13-6-4-11(19)8-12(13)18/h3-8H,9H2,1-2H3

InChI Key

WKOVQJSNPUKNIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04476610

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.67

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.863

Distribution Coefficient, logD

4.863

Water Solubility, LogSw

-4.93

Polar Surface Area

54.156

Acid Dissociation Constant (pKa)

31.04

Base Dissociation Constant (pKb)

-5.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

6566-1594 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 6566-1594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6566-1594?
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What is the minimum amount of 6566-1594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6566-1594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6566-1594
  • 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 6566-1594 available by request