1168-0283 Screening compound: 2-hydroxy-5-[6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]benzoic acid

1168-0283 Screening compound: 2-hydroxy-5-[6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]benzoic acid
1168-0283 Screening compound: 2-hydroxy-5-[6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1168-0283
2-hydroxy-5-[6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]benzoic 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

1168-0283

Molecular Formula

C19H10N2O7 (C19 H10 N2 O7)

Compound Name

2-hydroxy-5-[6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]benzoic acid

IUPAC name

2-hydroxy-5-{8-nitro-24-dioxo-3-azatricyclo[7.3.1.0^{513}]trideca-1(13)57911-pentaen-3-yl}benzoic acid

SMILES

[O-][N+](c(c1cccc(C(N2c(cc3)cc(C(O)=O)c3O)=O)c11)ccc1C2=O)=O

InChI

InChI=1S/C19H10N2O7/c22-15-7-4-9(8-13(15)19(25)26)20-17(23)11-3-1-2-10-14(21(27)28)6-5-12(16(10)11)18(20)24/h1-8,22H,(H,25,26)

InChI Key

TXGCPJYTDLUJMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00349806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.3

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.325

Distribution Coefficient, logD

0.001

Water Solubility, LogSw

-3.63

Polar Surface Area

106.279

Acid Dissociation Constant (pKa)

4.08

Base Dissociation Constant (pKb)

-5.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1168-0283 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1168-0283 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1168-0283?
Check Price and Availability of 1168-0283, 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 1168-0283 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1168-0283
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1168-0283
  • 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 1168-0283 available by request