3448-0593 Screening compound: 6-nitrospiro[1,3-benzodioxole-2,1'-cyclopentane]

3448-0593 Screening compound: 6-nitrospiro[1,3-benzodioxole-2,1'-cyclopentane]
3448-0593 Screening compound: 6-nitrospiro[1,3-benzodioxole-2,1'-cyclopentane] alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-0593
6-nitrospiro[1,3-benzodioxole-2,1'-cyclopentane]

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

3448-0593

Molecular Formula

C11H11NO4 (C11 H11 NO4)

Compound Name

6-nitrospiro[1,3-benzodioxole-2,1'-cyclopentane]

IUPAC name

6-nitrospiro[13-benzodioxole-21'-cyclopentane]

SMILES

[O-][N+](c(cc1)cc2c1OC1(CCCC1)O2)=O

InChI

InChI=1S/C11H11NO4/c13-12(14)8-3-4-9-10(7-8)16-11(15-9)5-1-2-6-11/h3-4,7H,1-2,5-6H2

InChI Key

ZCRQRXNOUOCURO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01809916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

221.21

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.569

Distribution Coefficient, logD

2.569

Water Solubility, LogSw

-2.71

Polar Surface Area

46.770

Acid Dissociation Constant (pKa)

26.34

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with 3448-0593 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-0593?
Check Price and Availability of 3448-0593, 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 3448-0593 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-0593
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-0593
  • 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 3448-0593 available by request