8012-8439 Screening compound: (1'Z)-1'-[(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)methylidene]-2',4'-dihydro-1'H-spiro[cyclopentane-1,3'-isoquinoline]

8012-8439 Screening compound: (1'Z)-1'-[(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)methylidene]-2',4'-dihydro-1'H-spiro[cyclopentane-1,3'-isoquinoline]
8012-8439 Screening compound: (1'Z)-1'-[(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)methylidene]-2',4'-dihydro-1'H-spiro[cyclopentane-1,3'-isoquinoline] alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-8439
(1'Z)-1'-[(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)methylidene]-2',4'-dihydro-1'H-spiro[cyclopentane-1,3'-isoquinoline]

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

8012-8439

Molecular Formula

C25H28N2 (C25 H28 N2)

Compound Name

(1'Z)-1'-[(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)methylidene]-2',4'-dihydro-1'H-spiro[cyclopentane-1,3'-isoquinoline]

IUPAC name

(1'Z)-1'-[(33-dimethyl-34-dihydroisoquinolin-1-yl)methylidene]-2'4'-dihydro-1'H-spiro[cyclopentane-13'-isoquinoline]

SMILES

CC(C)(C1)N=C(/C=C2\NC3(CCCC3)Cc3c2cccc3)c2c1cccc2

InChI

InChI=1S/C25H28N2/c1-24(2)16-18-9-3-5-11-20(18)22(26-24)15-23-21-12-6-4-10-19(21)17-25(27-23)13-7-8-14-25/h3-6,9-12,15,27H,7-8,13-14,16-17H2,1-2H3

InChI Key

MLQKNLCTOBULMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03231121

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.51

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.643

Distribution Coefficient, logD

5.641

Water Solubility, LogSw

-5.69

Polar Surface Area

19.850

Acid Dissociation Constant (pKa)

14.25

Base Dissociation Constant (pKb)

5.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

8012-8439 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiparasite Library (23996 compounds)

CNS BBB Library (22607 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 8012-8439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-8439?
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What is the minimum amount of 8012-8439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-8439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-8439
  • 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 8012-8439 available by request