4953-1054 Screening compound: 5-[(4-bromo-2-chlorophenoxy)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole

4953-1054 Screening compound: 5-[(4-bromo-2-chlorophenoxy)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
4953-1054 Screening compound: 5-[(4-bromo-2-chlorophenoxy)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4953-1054
5-[(4-bromo-2-chlorophenoxy)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

4953-1054

Molecular Formula

C16H12BrClN2O3 (C16 H12 BrClN2 O3)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c1noc(COc(ccc(Br)c2)c2Cl)n1

InChI

InChI=1S/C16H12BrClN2O3/c1-21-12-5-2-10(3-6-12)16-19-15(23-20-16)9-22-14-7-4-11(17)8-13(14)18/h2-8H,9H2,1H3

InChI Key

WPWHWZDOTGBFIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03138784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.64

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

5.157

Distribution Coefficient, logD

5.157

Water Solubility, LogSw

-5.81

Polar Surface Area

46.439

Acid Dissociation Constant (pKa)

31.04

Base Dissociation Constant (pKb)

-6.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

4953-1054 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • 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 4953-1054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4953-1054?
Check Price and Availability of 4953-1054, 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 4953-1054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4953-1054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4953-1054
  • 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 4953-1054 available by request