1661-1363 Screening compound: 3-(2,3-dihydro-1H-benzo[f]cyclopenta[c]quinolin-4-yl)phenol

1661-1363 Screening compound: 3-(2,3-dihydro-1H-benzo[f]cyclopenta[c]quinolin-4-yl)phenol
1661-1363 Screening compound: 3-(2,3-dihydro-1H-benzo[f]cyclopenta[c]quinolin-4-yl)phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1661-1363
3-(2,3-dihydro-1H-benzo[f]cyclopenta[c]quinolin-4-yl)phenol

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

1661-1363

Molecular Formula

C22H17NO (C22 H17 NO)

Compound Name

3-(2,3-dihydro-1H-benzo[f]cyclopenta[c]quinolin-4-yl)phenol

IUPAC name

3-{11-azatetracyclo[8.7.0.0^{27}.0^{1317}]heptadeca-1(10)2(7)3581113(17)-heptaen-12-yl}phenol

SMILES

Oc1cc(-c2nc3ccc(cccc4)c4c3c3c2CCC3)ccc1

InChI

InChI=1S/C22H17NO/c24-16-7-3-6-15(13-16)22-19-10-4-9-18(19)21-17-8-2-1-5-14(17)11-12-20(21)23-22/h1-3,5-8,11-13,24H,4,9-10H2

InChI Key

XVUVVFWKJOVPBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01030344

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.38

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.689

Distribution Coefficient, logD

5.663

Water Solubility, LogSw

-6.97

Polar Surface Area

26.700

Acid Dissociation Constant (pKa)

8.72

Base Dissociation Constant (pKb)

5.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

1661-1363 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1661-1363 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1661-1363?
Check Price and Availability of 1661-1363, 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 1661-1363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1661-1363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1661-1363
  • 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 1661-1363 available by request