1509-0008 Screening compound: octyl 9-(dicyanomethylidene)-2,7-dinitro-9H-fluorene-4-carboxylate

1509-0008 Screening compound: octyl 9-(dicyanomethylidene)-2,7-dinitro-9H-fluorene-4-carboxylate
1509-0008 Screening compound: octyl 9-(dicyanomethylidene)-2,7-dinitro-9H-fluorene-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1509-0008
octyl 9-(dicyanomethylidene)-2,7-dinitro-9H-fluorene-4-carboxylate

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

1509-0008

Molecular Formula

C25H22N4O6 (C25 H22 N4 O6)

Compound Name

octyl 9-(dicyanomethylidene)-2,7-dinitro-9H-fluorene-4-carboxylate

IUPAC name

octyl 9-(dicyanomethylidene)-27-dinitro-9H-fluorene-4-carboxylate

SMILES

CCCCCCCCOC(c1c(-c(ccc([N+]([O-])=O)c2)c2C2=C(C#N)C#N)c2cc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C25H22N4O6/c1-2-3-4-5-6-7-10-35-25(30)22-13-18(29(33)34)12-21-23(16(14-26)15-27)20-11-17(28(31)32)8-9-19(20)24(21)22/h8-9,11-13H,2-7,10H2,1H3

InChI Key

HJBLFJDVQCWKAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00275824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.47

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.627

Distribution Coefficient, logD

6.627

Water Solubility, LogSw

-5.77

Polar Surface Area

122.177

Acid Dissociation Constant (pKa)

28.18

Base Dissociation Constant (pKb)

-9.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

1509-0008 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1509-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1509-0008?
Check Price and Availability of 1509-0008, 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 1509-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1509-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1509-0008
  • 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 1509-0008 available by request