8015-0095 Screening compound: ethyl 4-(1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-amido)benzoate

8015-0095 Screening compound: ethyl 4-(1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-amido)benzoate
8015-0095 Screening compound: ethyl 4-(1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-0095
ethyl 4-(1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-amido)benzoate

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

8015-0095

Molecular Formula

C24H16N2O7 (C24 H16 N2 O7)

Compound Name

ethyl 4-(1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-amido)benzoate

IUPAC name

ethyl 4-(1-nitro-910-dioxo-910-dihydroanthracene-2-amido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(c(c([N+]([O-])=O)c1C(c2c3cccc2)=O)ccc1C3=O)=O)=O

InChI

InChI=1S/C24H16N2O7/c1-2-33-24(30)13-7-9-14(10-8-13)25-23(29)18-12-11-17-19(20(18)26(31)32)22(28)16-6-4-3-5-15(16)21(17)27/h3-12H,2H2,1H3,(H,25,29)

InChI Key

NQLLXCCAQJJDDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03821637

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.4

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.312

Distribution Coefficient, logD

4.178

Water Solubility, LogSw

-5.37

Polar Surface Area

102.805

Acid Dissociation Constant (pKa)

6.30

Base Dissociation Constant (pKb)

-6.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

References: we are preparing a list of scientific research reports with 8015-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-0095?
Check Price and Availability of 8015-0095, 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 8015-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-0095
  • 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 8015-0095 available by request