0555-0067 Screening compound: 2,4,5,7-tetranitro-9-{[4-(octyloxy)phenyl]methylidene}-9H-fluorene

0555-0067 Screening compound: 2,4,5,7-tetranitro-9-{[4-(octyloxy)phenyl]methylidene}-9H-fluorene
0555-0067 Screening compound: 2,4,5,7-tetranitro-9-{[4-(octyloxy)phenyl]methylidene}-9H-fluorene alternative view

Chemical Structure Depiction of ChemDiv screening compound 0555-0067
2,4,5,7-tetranitro-9-{[4-(octyloxy)phenyl]methylidene}-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

0555-0067

Molecular Formula

C28H26N4O9 (C28 H26 N4 O9)

Compound Name

2,4,5,7-tetranitro-9-{[4-(octyloxy)phenyl]methylidene}-9H-fluorene

IUPAC name

2457-tetranitro-9-{[4-(octyloxy)phenyl]methylidene}-9H-fluorene

SMILES

CCCCCCCCOc1ccc(C=C(c2cc([N+]([O-])=O)c3)c4cc([N+]([O-])=O)cc([N+]([O-])=O)c4-c2c3[N+]([O-])=O)cc1

InChI

InChI=1S/C28H26N4O9/c1-2-3-4-5-6-7-12-41-21-10-8-18(9-11-21)13-22-23-14-19(29(33)34)16-25(31(37)38)27(23)28-24(22)15-20(30(35)36)17-26(28)32(39)40/h8-11,13-17H,2-7,12H2,1H3

InChI Key

HHQLWHKWERDALQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00230243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

562.54

Hydrogen Bond Acceptors Count

17.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

8.165

Distribution Coefficient, logD

8.165

Water Solubility, LogSw

-6.04

Polar Surface Area

140.324

Acid Dissociation Constant (pKa)

27.86

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

0555-0067 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 0555-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0555-0067?
Check Price and Availability of 0555-0067, 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 0555-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0555-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0555-0067
  • 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 0555-0067 available by request