8005-6720 Screening compound: N-[2-(dimethylamino)ethyl]-2H-1,3-benzodioxole-5-carboxamide

8005-6720 Screening compound: N-[2-(dimethylamino)ethyl]-2H-1,3-benzodioxole-5-carboxamide
8005-6720 Screening compound: N-[2-(dimethylamino)ethyl]-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-6720
N-[2-(dimethylamino)ethyl]-2H-1,3-benzodioxole-5-carboxamide

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

8005-6720

Molecular Formula

C12H16N2O3 (C12 H16 N2 O3)

Compound Name

N-[2-(dimethylamino)ethyl]-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-[2-(dimethylamino)ethyl]-2H-13-benzodioxole-5-carboxamide

SMILES

CN(C)CCNC(c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C12H16N2O3/c1-14(2)6-5-13-12(15)9-3-4-10-11(7-9)17-8-16-10/h3-4,7H,5-6,8H2,1-2H3,(H,13,15)

InChI Key

FKMXZQSHSDYPHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00821362

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

236.27

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

0.945

Distribution Coefficient, logD

0.106

Water Solubility, LogSw

-2.07

Polar Surface Area

45.746

Acid Dissociation Constant (pKa)

13.40

Base Dissociation Constant (pKb)

8.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

8005-6720 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8005-6720 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-6720?
Check Price and Availability of 8005-6720, 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 8005-6720 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-6720
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-6720
  • 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 8005-6720 available by request