5008-0130 Screening compound: 5-[bis(5-ethylfuran-2-yl)methyl]-6-nitro-2H-1,3-benzodioxole

5008-0130 Screening compound: 5-[bis(5-ethylfuran-2-yl)methyl]-6-nitro-2H-1,3-benzodioxole
5008-0130 Screening compound: 5-[bis(5-ethylfuran-2-yl)methyl]-6-nitro-2H-1,3-benzodioxole alternative view

Chemical Structure Depiction of ChemDiv screening compound 5008-0130
5-[bis(5-ethylfuran-2-yl)methyl]-6-nitro-2H-1,3-benzodioxole

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

5008-0130

Molecular Formula

C20H19NO6 (C20 H19 NO6)

Compound Name

5-[bis(5-ethylfuran-2-yl)methyl]-6-nitro-2H-1,3-benzodioxole

IUPAC name

5-[bis(5-ethylfuran-2-yl)methyl]-6-nitro-2H-13-benzodioxole

SMILES

CCc1ccc(C(c2ccc(CC)o2)c(cc2OCOc2c2)c2[N+]([O-])=O)o1

InChI

InChI=1S/C20H19NO6/c1-3-12-5-7-16(26-12)20(17-8-6-13(4-2)27-17)14-9-18-19(25-11-24-18)10-15(14)21(22)23/h5-10,20H,3-4,11H2,1-2H3

InChI Key

AYXGFFXMZRKCGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02253206

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.639

Distribution Coefficient, logD

5.639

Water Solubility, LogSw

-5.52

Polar Surface Area

65.574

Acid Dissociation Constant (pKa)

29.62

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with 5008-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5008-0130?
Check Price and Availability of 5008-0130, 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 5008-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5008-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5008-0130
  • 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 5008-0130 available by request