8012-5553 Screening compound: 11-{4-[(2-fluorobenzyl)oxy]phenyl}-9,10-dihydro-8H-benzo[f]cyclopenta[b]quinoline

8012-5553 Screening compound: 11-{4-[(2-fluorobenzyl)oxy]phenyl}-9,10-dihydro-8H-benzo[f]cyclopenta[b]quinoline
8012-5553 Screening compound: 11-{4-[(2-fluorobenzyl)oxy]phenyl}-9,10-dihydro-8H-benzo[f]cyclopenta[b]quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5553
11-{4-[(2-fluorobenzyl)oxy]phenyl}-9,10-dihydro-8H-benzo[f]cyclopenta[b]quinoline

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

8012-5553

Molecular Formula

C29H22FNO (C29 H22 FNO)

Compound Name

11-{4-[(2-fluorobenzyl)oxy]phenyl}-9,10-dihydro-8H-benzo[f]cyclopenta[b]quinoline

IUPAC name

17-{4-[(2-fluorophenyl)methoxy]phenyl}-11-azatetracyclo[8.7.0.0^{27}.0^{1216}]heptadeca-1(10)2(7)3581116-heptaene

SMILES

Fc1c(COc(cc2)ccc2-c2c(CCC3)c3nc3ccc(cccc4)c4c23)cccc1

InChI

InChI=1S/C29H22FNO/c30-25-10-4-2-7-21(25)18-32-22-15-12-20(13-16-22)28-24-9-5-11-26(24)31-27-17-14-19-6-1-3-8-23(19)29(27)28/h1-4,6-8,10,12-17H,5,9,11,18H2

InChI Key

HYZJXUMIIBNBEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03036490

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.5

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

7.623

Distribution Coefficient, logD

7.606

Water Solubility, LogSw

-7.36

Polar Surface Area

17.041

Acid Dissociation Constant (pKa)

15.55

Base Dissociation Constant (pKb)

6.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.80

8012-5553 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Agro:
  • Agro
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8012-5553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5553?
Check Price and Availability of 8012-5553, 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 8012-5553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5553
  • 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 8012-5553 available by request