8004-3354 Screening compound: N-[5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]-4-hydroxybenzamide

8004-3354 Screening compound: N-[5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]-4-hydroxybenzamide
8004-3354 Screening compound: N-[5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]-4-hydroxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-3354
N-[5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]-4-hydroxybenzamide

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

8004-3354

Molecular Formula

C19H10N4O8 (C19 H10 N4 O8)

Compound Name

N-[5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]-4-hydroxybenzamide

IUPAC name

N-{711-dinitro-24-dioxo-3-azatricyclo[7.3.1.0^{513}]trideca-1(12)579(13)10-pentaen-3-yl}-4-hydroxybenzamide

SMILES

[O-][N+](c1cc(C(N(C2=O)NC(c(cc3)ccc3O)=O)=O)c3c2cc([N+]([O-])=O)cc3c1)=O

InChI

InChI=1S/C19H10N4O8/c24-13-3-1-9(2-4-13)17(25)20-21-18(26)14-7-11(22(28)29)5-10-6-12(23(30)31)8-15(16(10)14)19(21)27/h1-8,24H,(H,20,25)

InChI Key

YUHLBLUUVGHOCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00697246

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.31

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.045

Distribution Coefficient, logD

1.019

Water Solubility, LogSw

-2.41

Polar Surface Area

139.635

Acid Dissociation Constant (pKa)

8.60

Base Dissociation Constant (pKb)

2.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8004-3354 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8004-3354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-3354?
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What is the minimum amount of 8004-3354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-3354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-3354
  • 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 8004-3354 available by request