8005-8848 Screening compound: N,N-bis(1,3-benzodioxol-5-ylmethyl)hexanediamide

8005-8848 Screening compound: N,N-bis(1,3-benzodioxol-5-ylmethyl)hexanediamide
8005-8848 Screening compound: N,N-bis(1,3-benzodioxol-5-ylmethyl)hexanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-8848
N,N-bis(1,3-benzodioxol-5-ylmethyl)hexanediamide

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

8005-8848

Molecular Formula

C22H24N2O6 (C22 H24 N2 O6)

Compound Name

N,N-bis(1,3-benzodioxol-5-ylmethyl)hexanediamide

IUPAC name

NN'-bis[(2H-13-benzodioxol-5-yl)methyl]hexanediamide

SMILES

O=C(CCCCC(NCc(cc1)cc2c1OCO2)=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C22H24N2O6/c25-21(23-11-15-5-7-17-19(9-15)29-13-27-17)3-1-2-4-22(26)24-12-16-6-8-18-20(10-16)30-14-28-18/h5-10H,1-4,11-14H2,(H,23,25)(H,24,26)

InChI Key

UATYYZRDAHTPND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00469876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.885

Distribution Coefficient, logD

1.885

Water Solubility, LogSw

-2.36

Polar Surface Area

83.141

Acid Dissociation Constant (pKa)

13.70

Base Dissociation Constant (pKb)

-0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.36

References: we are preparing a list of scientific research reports with 8005-8848 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-8848?
Check Price and Availability of 8005-8848, 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 8005-8848 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-8848
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-8848
  • 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 8005-8848 available by request