0061-0023 Screening compound: 5-{2-[(4-chlorophenoxy)methyl]oxiran-2-yl}-5-methyl-1,3-dioxane

0061-0023 Screening compound: 5-{2-[(4-chlorophenoxy)methyl]oxiran-2-yl}-5-methyl-1,3-dioxane
0061-0023 Screening compound: 5-{2-[(4-chlorophenoxy)methyl]oxiran-2-yl}-5-methyl-1,3-dioxane alternative view

Chemical Structure Depiction of ChemDiv screening compound 0061-0023
5-{2-[(4-chlorophenoxy)methyl]oxiran-2-yl}-5-methyl-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

0061-0023

Molecular Formula

C14H17ClO4 (C14 H17 ClO4)

Compound Name

5-{2-[(4-chlorophenoxy)methyl]oxiran-2-yl}-5-methyl-1,3-dioxane

IUPAC name

5-{2-[(4-chlorophenoxy)methyl]oxiran-2-yl}-5-methyl-13-dioxane

SMILES

CC1(COCOC1)C1(COc(cc2)ccc2Cl)OC1

InChI

InChI=1S/C14H17ClO4/c1-13(6-16-10-17-7-13)14(9-19-14)8-18-12-4-2-11(15)3-5-12/h2-5H,6-10H2,1H3/t14-/m0/s1

InChI Key

CSKZDEQPIOOICC-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD00600483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.74

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

2.637

Distribution Coefficient, logD

2.637

Water Solubility, LogSw

-2.89

Polar Surface Area

33.493

Acid Dissociation Constant (pKa)

27.34

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

0061-0023 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

?ysteine Targeted Covalent Library (39471 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 0061-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0061-0023?
Check Price and Availability of 0061-0023, 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 0061-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0061-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0061-0023
  • 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 0061-0023 available by request