8012-5021 Screening compound: 5-(3-nitro-2H-chromen-2-yl)-1,3-benzodioxole

8012-5021 Screening compound: 5-(3-nitro-2H-chromen-2-yl)-1,3-benzodioxole
8012-5021 Screening compound: 5-(3-nitro-2H-chromen-2-yl)-1,3-benzodioxole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5021
5-(3-nitro-2H-chromen-2-yl)-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

8012-5021

Molecular Formula

C16H11NO5 (C16 H11 NO5)

Compound Name

5-(3-nitro-2H-chromen-2-yl)-1,3-benzodioxole

IUPAC name

2-(2H-13-benzodioxol-5-yl)-3-nitro-2H-chromene

SMILES

[O-][N+](C1=Cc(cccc2)c2OC1c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C16H11NO5/c18-17(19)12-7-10-3-1-2-4-13(10)22-16(12)11-5-6-14-15(8-11)21-9-20-14/h1-8,16H,9H2/t16-/m0/s1

InChI Key

MNOXMLFPCBCFJG-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03017931

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.868

Distribution Coefficient, logD

3.868

Water Solubility, LogSw

-4.16

Polar Surface Area

57.794

Acid Dissociation Constant (pKa)

20.54

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 8012-5021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5021?
Check Price and Availability of 8012-5021, 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 8012-5021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5021
  • 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 8012-5021 available by request