4813-3052 Screening compound: 5-[(2-bromo-4-methylphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole

4813-3052 Screening compound: 5-[(2-bromo-4-methylphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
4813-3052 Screening compound: 5-[(2-bromo-4-methylphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4813-3052
5-[(2-bromo-4-methylphenoxy)methyl]-3-(4-methylphenyl)-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

4813-3052

Molecular Formula

C17H15BrN2O2 (C17 H15 BrN2 O2)

Compound Name

5-[(2-bromo-4-methylphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole

IUPAC name

5-[(2-bromo-4-methylphenoxy)methyl]-3-(4-methylphenyl)-124-oxadiazole

SMILES

Cc(cc1)ccc1-c1noc(COc(ccc(C)c2)c2Br)n1

InChI

InChI=1S/C17H15BrN2O2/c1-11-3-6-13(7-4-11)17-19-16(22-20-17)10-21-15-8-5-12(2)9-14(15)18/h3-9H,10H2,1-2H3

InChI Key

CUFWXQCSEHWZRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02916836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.22

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

5.450

Distribution Coefficient, logD

5.450

Water Solubility, LogSw

-5.50

Polar Surface Area

38.896

Acid Dissociation Constant (pKa)

27.95

Base Dissociation Constant (pKb)

-5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

4813-3052 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4813-3052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4813-3052?
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What is the minimum amount of 4813-3052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4813-3052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4813-3052
  • 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 4813-3052 available by request