8014-5362 Screening compound: hexadecyl 3,4,4-trichloro-3-butenoate

8014-5362 Screening compound: hexadecyl 3,4,4-trichloro-3-butenoate
8014-5362 Screening compound: hexadecyl 3,4,4-trichloro-3-butenoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-5362
hexadecyl 3,4,4-trichloro-3-butenoate

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

8014-5362

Molecular Formula

C20H35Cl3O2 (C20 H35 Cl3 O2)

Compound Name

hexadecyl 3,4,4-trichloro-3-butenoate

IUPAC name

hexadecyl 344-trichlorobut-3-enoate

SMILES

CCCCCCCCCCCCCCCCOC(CC(Cl)=C(Cl)Cl)=O

InChI

InChI=1S/C20H35Cl3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-19(24)17-18(21)20(22)23/h2-17H2,1H3

InChI Key

JSADBUDDQVQWFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03765538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.85

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

9.539

Distribution Coefficient, logD

9.539

Water Solubility, LogSw

-6.50

Polar Surface Area

20.963

Acid Dissociation Constant (pKa)

21.76

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

85.00

References: we are preparing a list of scientific research reports with 8014-5362 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-5362?
Check Price and Availability of 8014-5362, 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 8014-5362 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-5362
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-5362
  • 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 8014-5362 available by request