8005-5698 Screening compound: 9-[(4-methoxyphenyl)methylidene]-2,4,5,7-tetranitro-9H-fluorene

8005-5698 Screening compound: 9-[(4-methoxyphenyl)methylidene]-2,4,5,7-tetranitro-9H-fluorene
8005-5698 Screening compound: 9-[(4-methoxyphenyl)methylidene]-2,4,5,7-tetranitro-9H-fluorene alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-5698
9-[(4-methoxyphenyl)methylidene]-2,4,5,7-tetranitro-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

8005-5698

Molecular Formula

C21H12N4O9 (C21 H12 N4 O9)

Compound Name

9-[(4-methoxyphenyl)methylidene]-2,4,5,7-tetranitro-9H-fluorene

IUPAC name

n/a

SMILES

COc1ccc(C=C(c2cc([N+]([O-])=O)c3)c4cc([N+]([O-])=O)cc([N+]([O-])=O)c4-c2c3[N+]([O-])=O)cc1

InChI

InChI=1S/C21H12N4O9/c1-34-14-4-2-11(3-5-14)6-15-16-7-12(22(26)27)9-18(24(30)31)20(16)21-17(15)8-13(23(28)29)10-19(21)25(32)33/h2-10H,1H3

InChI Key

MXXSUVHJNGTHQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00218432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.35

Hydrogen Bond Acceptors Count

17.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

4.677

Distribution Coefficient, logD

4.677

Water Solubility, LogSw

-4.78

Polar Surface Area

140.450

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

References: we are preparing a list of scientific research reports with 8005-5698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-5698?
Check Price and Availability of 8005-5698, 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 8005-5698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-5698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-5698
  • 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 8005-5698 available by request