8018-3518 Screening compound: 2-(4-bromophenyl)-5-methyl-5-phenyl-1,3-dioxane

8018-3518 Screening compound: 2-(4-bromophenyl)-5-methyl-5-phenyl-1,3-dioxane
8018-3518 Screening compound: 2-(4-bromophenyl)-5-methyl-5-phenyl-1,3-dioxane alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3518
2-(4-bromophenyl)-5-methyl-5-phenyl-1,3-dioxane

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

8018-3518

Molecular Formula

C17H17BrO2 (C17 H17 BrO2)

Compound Name

2-(4-bromophenyl)-5-methyl-5-phenyl-1,3-dioxane

IUPAC name

2-(4-bromophenyl)-5-methyl-5-phenyl-13-dioxane

SMILES

CC1(COC(c(cc2)ccc2Br)OC1)c1ccccc1

InChI

InChI=1S/C17H17BrO2/c1-17(14-5-3-2-4-6-14)11-19-16(20-12-17)13-7-9-15(18)10-8-13/h2-10,16H,11-12H2,1H3

InChI Key

SCXHPLJOQKPFJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07658157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.22

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.594

Distribution Coefficient, logD

4.594

Water Solubility, LogSw

-4.51

Polar Surface Area

17.379

Acid Dissociation Constant (pKa)

26.49

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.41

8018-3518 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 8018-3518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3518?
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What is the minimum amount of 8018-3518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3518
  • 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 8018-3518 available by request