2332-0301 Screening compound: ethyl N-[5,6-dichloro-2-(trichloromethyl)-2H-1,3-benzodioxol-2-yl]carbamate

2332-0301 Screening compound: ethyl N-[5,6-dichloro-2-(trichloromethyl)-2H-1,3-benzodioxol-2-yl]carbamate
2332-0301 Screening compound: ethyl N-[5,6-dichloro-2-(trichloromethyl)-2H-1,3-benzodioxol-2-yl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2332-0301
ethyl N-[5,6-dichloro-2-(trichloromethyl)-2H-1,3-benzodioxol-2-yl]carbamate

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

2332-0301

Molecular Formula

C11H8Cl5NO4 (C11 H8 Cl5 NO4)

Compound Name

ethyl N-[5,6-dichloro-2-(trichloromethyl)-2H-1,3-benzodioxol-2-yl]carbamate

IUPAC name

ethyl N-[56-dichloro-2-(trichloromethyl)-2H-13-benzodioxol-2-yl]carbamate

SMILES

CCOC(NC(C(Cl)(Cl)Cl)(Oc1c2)Oc1cc(Cl)c2Cl)=O

InChI

InChI=1S/C11H8Cl5NO4/c1-2-19-9(18)17-11(10(14,15)16)20-7-3-5(12)6(13)4-8(7)21-11/h3-4H,2H2,1H3,(H,17,18)

InChI Key

QIEYHMQVYVMJMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00721486

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.730

Distribution Coefficient, logD

2.299

Water Solubility, LogSw

-4.86

Polar Surface Area

46.774

Acid Dissociation Constant (pKa)

4.97

Base Dissociation Constant (pKb)

-10.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with 2332-0301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2332-0301?
Check Price and Availability of 2332-0301, 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 2332-0301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2332-0301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2332-0301
  • 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 2332-0301 available by request