1509-0018 Screening compound: hexadecyl 9-(dicyanomethylidene)-2,7-dinitro-9H-fluorene-4-carboxylate

1509-0018 Screening compound: hexadecyl 9-(dicyanomethylidene)-2,7-dinitro-9H-fluorene-4-carboxylate
1509-0018 Screening compound: hexadecyl 9-(dicyanomethylidene)-2,7-dinitro-9H-fluorene-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1509-0018
hexadecyl 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

1509-0018

Molecular Formula

C33H38N4O6 (C33 H38 N4 O6)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C33H38N4O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-43-33(38)30-21-26(37(41)42)20-29-31(24(22-34)23-35)28-19-25(36(39)40)16-17-27(28)32(29)30/h16-17,19-21H,2-15,18H2,1H3

InChI Key

KCYGVYYYWFXTEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00228893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

586.69

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

21.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

10.595

Distribution Coefficient, logD

10.595

Water Solubility, LogSw

-5.88

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

48.50

1509-0018 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 1509-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1509-0018?
Check Price and Availability of 1509-0018, 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 1509-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1509-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1509-0018
  • 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 1509-0018 available by request