3226-0008 Screening compound: 5-({3-[6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]benzoyl}amino)isophthalic acid

3226-0008 Screening compound: 5-({3-[6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]benzoyl}amino)isophthalic acid
3226-0008 Screening compound: 5-({3-[6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]benzoyl}amino)isophthalic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3226-0008
5-({3-[6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]benzoyl}amino)isophthalic 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

3226-0008

Molecular Formula

C27H15N3O9 (C27 H15 N3 O9)

Compound Name

5-({3-[6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]benzoyl}amino)isophthalic acid

IUPAC name

5-(3-{10-nitro-24-dioxo-3-azatricyclo[7.3.1.0^{513}]trideca-1(13)57911-pentaen-3-yl}benzamido)benzene-13-dicarboxylic acid

SMILES

[O-][N+](c(c1cccc(C(N2c3cc(C(Nc4cc(C(O)=O)cc(C(O)=O)c4)=O)ccc3)=O)c11)ccc1C2=O)=O

InChI

InChI=1S/C27H15N3O9/c31-23(28-16-10-14(26(34)35)9-15(11-16)27(36)37)13-3-1-4-17(12-13)29-24(32)19-6-2-5-18-21(30(38)39)8-7-20(22(18)19)25(29)33/h1-12H,(H,28,31)(H,34,35)(H,36,37)

InChI Key

WFDKIXSUEHKTJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01572111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.43

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

4.284

Distribution Coefficient, logD

0.920

Water Solubility, LogSw

-4.60

Polar Surface Area

141.230

Acid Dissociation Constant (pKa)

3.77

Base Dissociation Constant (pKb)

-4.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 3226-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3226-0008?
Check Price and Availability of 3226-0008, 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 3226-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3226-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3226-0008
  • 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 3226-0008 available by request