0199-0138 Screening compound: 2-(4-bromophenyl)-5-hexyl-1,3-dioxane

0199-0138 Screening compound: 2-(4-bromophenyl)-5-hexyl-1,3-dioxane
0199-0138 Screening compound: 2-(4-bromophenyl)-5-hexyl-1,3-dioxane alternative view

Chemical Structure Depiction of ChemDiv screening compound 0199-0138
2-(4-bromophenyl)-5-hexyl-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

0199-0138

Molecular Formula

C16H23BrO2 (C16 H23 BrO2)

Compound Name

2-(4-bromophenyl)-5-hexyl-1,3-dioxane

IUPAC name

2-(4-bromophenyl)-5-hexyl-13-dioxane

SMILES

CCCCCCC1COC(c(cc2)ccc2Br)OC1

InChI

InChI=1S/C16H23BrO2/c1-2-3-4-5-6-13-11-18-16(19-12-13)14-7-9-15(17)10-8-14/h7-10,13,16H,2-6,11-12H2,1H3

InChI Key

VQSOFGDNDIUQRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00426209

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.26

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.480

Distribution Coefficient, logD

5.480

Water Solubility, LogSw

-5.61

Polar Surface Area

17.651

Acid Dissociation Constant (pKa)

25.68

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

References: we are preparing a list of scientific research reports with 0199-0138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0199-0138?
Check Price and Availability of 0199-0138, 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 0199-0138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0199-0138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0199-0138
  • 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 0199-0138 available by request