8004-0478 Screening compound: 2,4,7-trinitro-9H-fluorene

8004-0478 Screening compound: 2,4,7-trinitro-9H-fluorene
8004-0478 Screening compound: 2,4,7-trinitro-9H-fluorene alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-0478
2,4,7-trinitro-9H-fluorene

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

8004-0478

Molecular Formula

C13H7N3O6 (C13 H7 N3 O6)

Compound Name

2,4,7-trinitro-9H-fluorene

IUPAC name

247-trinitro-9H-fluorene

SMILES

[O-][N+](c(cc1)cc(Cc2cc([N+]([O-])=O)c3)c1-c2c3[N+]([O-])=O)=O

InChI

InChI=1S/C13H7N3O6/c17-14(18)9-1-2-11-7(4-9)3-8-5-10(15(19)20)6-12(13(8)11)16(21)22/h1-2,4-6H,3H2

InChI Key

PDEJYRZFAJILSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00180005

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.22

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.233

Distribution Coefficient, logD

3.233

Water Solubility, LogSw

-3.80

Polar Surface Area

100.097

Acid Dissociation Constant (pKa)

22.58

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

8004-0478 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8004-0478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-0478?
Check Price and Availability of 8004-0478, 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 8004-0478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-0478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-0478
  • 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 8004-0478 available by request