1959-0120 Screening compound: 4-(1-naphthyl)-3a,4,5,11c-tetrahydro-3H-benzo[f]cyclopenta[c]quinoline

1959-0120 Screening compound: 4-(1-naphthyl)-3a,4,5,11c-tetrahydro-3H-benzo[f]cyclopenta[c]quinoline
1959-0120 Screening compound: 4-(1-naphthyl)-3a,4,5,11c-tetrahydro-3H-benzo[f]cyclopenta[c]quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 1959-0120
4-(1-naphthyl)-3a,4,5,11c-tetrahydro-3H-benzo[f]cyclopenta[c]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

1959-0120

Molecular Formula

C26H21N (C26 H21 N)

Compound Name

4-(1-naphthyl)-3a,4,5,11c-tetrahydro-3H-benzo[f]cyclopenta[c]quinoline

IUPAC name

12-(naphthalen-1-yl)-11-azatetracyclo[8.7.0.0^{27}.0^{1317}]heptadeca-1(10)2(7)35815-hexaene

SMILES

C(C12)C=CC2c(c2ccccc2cc2)c2NC1c1cccc2ccccc12

InChI

InChI=1S/C26H21N/c1-3-10-19-17(7-1)9-5-13-22(19)26-23-14-6-12-21(23)25-20-11-4-2-8-18(20)15-16-24(25)27-26/h1-13,15-16,21,23,26-27H,14H2

InChI Key

KXJJUWSWIKOUNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01079680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.46

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

6.918

Distribution Coefficient, logD

6.918

Water Solubility, LogSw

-7.45

Polar Surface Area

11.778

Acid Dissociation Constant (pKa)

15.78

Base Dissociation Constant (pKb)

3.71

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

15.40

1959-0120 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1959-0120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1959-0120?
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What is the minimum amount of 1959-0120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1959-0120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1959-0120
  • 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 1959-0120 available by request