6944-0119 Screening compound: 5',6'-dimethoxy-1',1'-dimethyl-4-oxo-2',3',8',8a'-tetrahydro-1'H-spiro[cyclohexa-2,5-diene-1,7'-cyclopenta[ij]isoquinoline]

6944-0119 Screening compound: 5',6'-dimethoxy-1',1'-dimethyl-4-oxo-2',3',8',8a'-tetrahydro-1'H-spiro[cyclohexa-2,5-diene-1,7'-cyclopenta[ij]isoquinoline]
6944-0119 Screening compound: 5',6'-dimethoxy-1',1'-dimethyl-4-oxo-2',3',8',8a'-tetrahydro-1'H-spiro[cyclohexa-2,5-diene-1,7'-cyclopenta[ij]isoquinoline] alternative view

Chemical Structure Depiction of ChemDiv screening compound 6944-0119
5',6'-dimethoxy-1',1'-dimethyl-4-oxo-2',3',8',8a'-tetrahydro-1'H-spiro[cyclohexa-2,5-diene-1,7'-cyclopenta[ij]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

6944-0119

Molecular Formula

C20H24NO3 (C20 H24 NO3)

Compound Name

5',6'-dimethoxy-1',1'-dimethyl-4-oxo-2',3',8',8a'-tetrahydro-1'H-spiro[cyclohexa-2,5-diene-1,7'-cyclopenta[ij]isoquinoline]

IUPAC name

10'11'-dimethoxy-5'5'-dimethyl-4-oxo-5'-azaspiro[cyclohexane-12'-tricyclo[6.3.1.0^{412}]dodecane]-1'(12')258'10'-pentaen-5'-ium

SMILES

C[N+](C)(CC1)C(CC(C=C2)(C=CC2=O)c2c3OC)c2c1cc3OC

InChI

InChI=1S/C20H24NO3/c1-21(2)10-7-13-11-16(23-3)19(24-4)18-17(13)15(21)12-20(18)8-5-14(22)6-9-20/h5-6,8-9,11,15H,7,10,12H2,1-4H3/q+1/t15-/m1/s1

InChI Key

QUWNQGIEEDWQNY-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD01119100

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

326.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.839

Distribution Coefficient, logD

1.839

Water Solubility, LogSw

-2.21

Polar Surface Area

28.079

Acid Dissociation Constant (pKa)

19.90

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

6944-0119 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6944-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6944-0119?
Check Price and Availability of 6944-0119, 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 6944-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6944-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6944-0119
  • 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 6944-0119 available by request