8018-3528 Screening compound: 4-(6-nitro-2H-1,3-benzodioxol-5-yl)butan-2-one

8018-3528 Screening compound: 4-(6-nitro-2H-1,3-benzodioxol-5-yl)butan-2-one
8018-3528 Screening compound: 4-(6-nitro-2H-1,3-benzodioxol-5-yl)butan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3528
4-(6-nitro-2H-1,3-benzodioxol-5-yl)butan-2-one

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

8018-3528

Molecular Formula

C11H11NO5 (C11 H11 NO5)

Compound Name

4-(6-nitro-2H-1,3-benzodioxol-5-yl)butan-2-one

IUPAC name

4-(6-nitro-2H-13-benzodioxol-5-yl)butan-2-one

SMILES

CC(CCc(cc1OCOc1c1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C11H11NO5/c1-7(13)2-3-8-4-10-11(17-6-16-10)5-9(8)12(14)15/h4-5H,2-3,6H2,1H3

InChI Key

ZEDRNJMTGPWKKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07658167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

237.21

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.988

Distribution Coefficient, logD

1.988

Water Solubility, LogSw

-2.11

Polar Surface Area

63.770

Acid Dissociation Constant (pKa)

20.77

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

8018-3528 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8018-3528 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3528?
Check Price and Availability of 8018-3528, 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 8018-3528 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3528
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3528
  • 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 8018-3528 available by request