8006-3300 Screening compound: 1-[(9Z)-9-[(4-methoxyphenyl)methylidene]-9H-fluoren-2-yl]-5-(piperidin-1-yl)pentan-1-one

8006-3300 Screening compound: 1-[(9Z)-9-[(4-methoxyphenyl)methylidene]-9H-fluoren-2-yl]-5-(piperidin-1-yl)pentan-1-one
8006-3300 Screening compound: 1-[(9Z)-9-[(4-methoxyphenyl)methylidene]-9H-fluoren-2-yl]-5-(piperidin-1-yl)pentan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-3300
1-[(9Z)-9-[(4-methoxyphenyl)methylidene]-9H-fluoren-2-yl]-5-(piperidin-1-yl)pentan-1-one

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

8006-3300

Molecular Formula

C31H33NO2 (C31 H33 NO2)

Compound Name

1-[(9Z)-9-[(4-methoxyphenyl)methylidene]-9H-fluoren-2-yl]-5-(piperidin-1-yl)pentan-1-one

IUPAC name

1-[(9Z)-9-[(4-methoxyphenyl)methylidene]-9H-fluoren-2-yl]-5-(piperidin-1-yl)pentan-1-one

SMILES

COc1ccc(/C=C2\c(cc(cc3)C(CCCCN4CCCCC4)=O)c3-c3c2cccc3)cc1

InChI

InChI=1S/C31H33NO2/c1-34-25-15-12-23(13-16-25)21-29-27-10-4-3-9-26(27)28-17-14-24(22-30(28)29)31(33)11-5-8-20-32-18-6-2-7-19-32/h3-4,9-10,12-17,21-22H,2,5-8,11,18-20H2,1H3

InChI Key

BLMJKVQCSBKJSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00328780

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.61

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.770

Distribution Coefficient, logD

4.108

Water Solubility, LogSw

-5.51

Polar Surface Area

24.484

Acid Dissociation Constant (pKa)

21.23

Base Dissociation Constant (pKb)

10.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.30

8006-3300 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8006-3300 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-3300?
Check Price and Availability of 8006-3300, 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 8006-3300 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-3300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-3300
  • 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 8006-3300 available by request