1661-1353 Screening compound: 2-(2,3-dihydro-1H-benzo[f]cyclopenta[c]quinolin-4-yl)-6-methoxyphenyl methyl ether

1661-1353 Screening compound: 2-(2,3-dihydro-1H-benzo[f]cyclopenta[c]quinolin-4-yl)-6-methoxyphenyl methyl ether
1661-1353 Screening compound: 2-(2,3-dihydro-1H-benzo[f]cyclopenta[c]quinolin-4-yl)-6-methoxyphenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 1661-1353
2-(2,3-dihydro-1H-benzo[f]cyclopenta[c]quinolin-4-yl)-6-methoxyphenyl methyl ether

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

1661-1353

Molecular Formula

C24H21NO2 (C24 H21 NO2)

Compound Name

2-(2,3-dihydro-1H-benzo[f]cyclopenta[c]quinolin-4-yl)-6-methoxyphenyl methyl ether

IUPAC name

12-(23-dimethoxyphenyl)-11-azatetracyclo[8.7.0.0^{27}.0^{1317}]heptadeca-1(10)2(7)3581113(17)-heptaene

SMILES

COc(cccc1-c2nc3ccc(cccc4)c4c3c3c2CCC3)c1OC

InChI

InChI=1S/C24H21NO2/c1-26-21-12-6-11-19(24(21)27-2)23-18-10-5-9-17(18)22-16-8-4-3-7-15(16)13-14-20(22)25-23/h3-4,6-8,11-14H,5,9-10H2,1-2H3

InChI Key

KZDFHRYRRRUDJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01030336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.882

Distribution Coefficient, logD

5.845

Water Solubility, LogSw

-7.02

Polar Surface Area

24.431

Acid Dissociation Constant (pKa)

15.15

Base Dissociation Constant (pKb)

6.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

1661-1353 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1661-1353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1661-1353?
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What is the minimum amount of 1661-1353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1661-1353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1661-1353
  • 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 1661-1353 available by request