4441-0342 Screening compound: 10-(dimethylamino)-9-methyl-7H,10H-naphtho[1,8-gh]chromen-7-one

4441-0342 Screening compound: 10-(dimethylamino)-9-methyl-7H,10H-naphtho[1,8-gh]chromen-7-one
4441-0342 Screening compound: 10-(dimethylamino)-9-methyl-7H,10H-naphtho[1,8-gh]chromen-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4441-0342
10-(dimethylamino)-9-methyl-7H,10H-naphtho[1,8-gh]chromen-7-one

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

4441-0342

Molecular Formula

C19H17NO2 (C19 H17 NO2)

Compound Name

10-(dimethylamino)-9-methyl-7H,10H-naphtho[1,8-gh]chromen-7-one

IUPAC name

4-(dimethylamino)-5-methyl-3-oxatetracyclo[7.7.1.0^{27}.0^{1317}]heptadeca-1(16)2(7)591113(17)14-heptaen-8-one

SMILES

CC1=CC(C(c2cccc3cccc4c23)=O)=C4OC1N(C)C

InChI

InChI=1S/C19H17NO2/c1-11-10-15-17(21)13-8-4-6-12-7-5-9-14(16(12)13)18(15)22-19(11)20(2)3/h4-10,19H,1-3H3/t19-/m1/s1

InChI Key

IIJYHLHWHGZFRM-LJQANCHMSA-N

MDL Number (MFCD)

MFCD02645387

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.730

Distribution Coefficient, logD

3.729

Water Solubility, LogSw

-4.29

Polar Surface Area

23.483

Acid Dissociation Constant (pKa)

31.85

Base Dissociation Constant (pKb)

4.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

4441-0342 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

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

CNS BBB Library (22607 compounds)

Fragments Library (11262 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Structure:
  • Fragments
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4441-0342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4441-0342?
Check Price and Availability of 4441-0342, 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 4441-0342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4441-0342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4441-0342
  • 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 4441-0342 available by request