8002-6515 Screening compound: methyl N-[2-(trichloromethyl)-2H-1,3-benzodioxol-2-yl]carbamate

8002-6515 Screening compound: methyl N-[2-(trichloromethyl)-2H-1,3-benzodioxol-2-yl]carbamate
8002-6515 Screening compound: methyl N-[2-(trichloromethyl)-2H-1,3-benzodioxol-2-yl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-6515
methyl N-[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

8002-6515

Molecular Formula

C10H8Cl3NO4 (C10 H8 Cl3 NO4)

Compound Name

methyl N-[2-(trichloromethyl)-2H-1,3-benzodioxol-2-yl]carbamate

IUPAC name

methyl N-[2-(trichloromethyl)-2H-13-benzodioxol-2-yl]carbamate

SMILES

COC(NC1(C(Cl)(Cl)Cl)Oc(cccc2)c2O1)=O

InChI

InChI=1S/C10H8Cl3NO4/c1-16-8(15)14-10(9(11,12)13)17-6-4-2-3-5-7(6)18-10/h2-5H,1H3,(H,14,15)

InChI Key

NPOUGLLHLBGNBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00519789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.008

Distribution Coefficient, logD

0.550

Water Solubility, LogSw

-3.46

Polar Surface Area

47.194

Acid Dissociation Constant (pKa)

4.94

Base Dissociation Constant (pKb)

-9.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

8002-6515 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8002-6515 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-6515?
Check Price and Availability of 8002-6515, 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 8002-6515 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-6515
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-6515
  • 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 8002-6515 available by request