8020-5120 Screening compound: 2,3-dihydro-1,4-benzodioxin-6-yl(4-nitrophenyl)methanone

8020-5120 Screening compound: 2,3-dihydro-1,4-benzodioxin-6-yl(4-nitrophenyl)methanone
8020-5120 Screening compound: 2,3-dihydro-1,4-benzodioxin-6-yl(4-nitrophenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-5120
2,3-dihydro-1,4-benzodioxin-6-yl(4-nitrophenyl)methanone

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

8020-5120

Molecular Formula

C15H11NO5 (C15 H11 NO5)

Compound Name

2,3-dihydro-1,4-benzodioxin-6-yl(4-nitrophenyl)methanone

IUPAC name

6-(4-nitrobenzoyl)-23-dihydro-14-benzodioxine

SMILES

[O-][N+](c(cc1)ccc1C(c(cc1)cc2c1OCCO2)=O)=O

InChI

InChI=1S/C15H11NO5/c17-15(10-1-4-12(5-2-10)16(18)19)11-3-6-13-14(9-11)21-8-7-20-13/h1-6,9H,7-8H2

InChI Key

ACTMTFINCCPVAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD23703736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.26

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.453

Distribution Coefficient, logD

2.453

Water Solubility, LogSw

-2.84

Polar Surface Area

62.910

Acid Dissociation Constant (pKa)

30.69

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

References: we are preparing a list of scientific research reports with 8020-5120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-5120?
Check Price and Availability of 8020-5120, 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 8020-5120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-5120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-5120
  • 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 8020-5120 available by request