3594-1009 Screening compound: 4-hydroxy-3-[6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]-1-benzenesulfonamide

3594-1009 Screening compound: 4-hydroxy-3-[6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]-1-benzenesulfonamide
3594-1009 Screening compound: 4-hydroxy-3-[6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3594-1009
4-hydroxy-3-[6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]-1-benzenesulfonamide

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

3594-1009

Molecular Formula

C18H11N3O7S (C18 H11 N3 O7 S)

Compound Name

4-hydroxy-3-[6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]-1-benzenesulfonamide

IUPAC name

4-hydroxy-3-{8-nitro-24-dioxo-3-azatricyclo[7.3.1.0^{513}]trideca-1(12)579(13)10-pentaen-3-yl}benzene-1-sulfonamide

SMILES

NS(c(cc1)cc(N(C(c(cccc23)c2c2ccc3[N+]([O-])=O)=O)C2=O)c1O)(=O)=O

InChI

InChI=1S/C18H11N3O7S/c19-29(27,28)9-4-7-15(22)14(8-9)20-17(23)11-3-1-2-10-13(21(25)26)6-5-12(16(10)11)18(20)24/h1-8,22H,(H2,19,27,28)

InChI Key

OTSDFLSAVWRXKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01176101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.37

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.932

Distribution Coefficient, logD

0.867

Water Solubility, LogSw

-2.87

Polar Surface Area

128.173

Acid Dissociation Constant (pKa)

6.37

Base Dissociation Constant (pKb)

-3.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3594-1009 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 3594-1009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3594-1009?
Check Price and Availability of 3594-1009, 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 3594-1009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3594-1009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3594-1009
  • 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 3594-1009 available by request