5042-0515 Screening compound: 3-[6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propanoic acid

5042-0515 Screening compound: 3-[6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propanoic acid
5042-0515 Screening compound: 3-[6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5042-0515
3-[6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propanoic acid

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

5042-0515

Molecular Formula

C15H10N2O6 (C15 H10 N2 O6)

Compound Name

3-[6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propanoic acid

IUPAC name

3-{10-nitro-24-dioxo-3-azatricyclo[7.3.1.0^{513}]trideca-1(13)57911-pentaen-3-yl}propanoic acid

SMILES

[O-][N+](c(c1cccc(C(N2CCC(O)=O)=O)c11)ccc1C2=O)=O

InChI

InChI=1S/C15H10N2O6/c18-12(19)6-7-16-14(20)9-3-1-2-8-11(17(22)23)5-4-10(13(8)9)15(16)21/h1-5H,6-7H2,(H,18,19)

InChI Key

QKIPXSPXLPYYIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00489564

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.25

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.171

Distribution Coefficient, logD

-1.362

Water Solubility, LogSw

-2.48

Polar Surface Area

90.568

Acid Dissociation Constant (pKa)

4.87

Base Dissociation Constant (pKb)

-7.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

References: we are preparing a list of scientific research reports with 5042-0515 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5042-0515?
Check Price and Availability of 5042-0515, 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 5042-0515 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5042-0515
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5042-0515
  • 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 5042-0515 available by request