0423-0669 Screening compound: N~1~-(2,4-dimethylphenyl)-N~1~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-1-adamantanecarboxamide

0423-0669 Screening compound: N~1~-(2,4-dimethylphenyl)-N~1~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-1-adamantanecarboxamide
0423-0669 Screening compound: N~1~-(2,4-dimethylphenyl)-N~1~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-1-adamantanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0423-0669
N~1~-(2,4-dimethylphenyl)-N~1~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-1-adamantanecarboxamide

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

0423-0669

Molecular Formula

C34H36N2O3 (C34 H36 N2 O3)

Compound Name

N~1~-(2,4-dimethylphenyl)-N~1~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-1-adamantanecarboxamide

IUPAC name

N-(24-dimethylphenyl)-N-(3-{24-dioxo-3-azatricyclo[7.3.1.0^{513}]trideca-1(12)579(13)10-pentaen-3-yl}propyl)adamantane-1-carboxamide

SMILES

Cc(cc1)cc(C)c1N(CCCN(C(c1c2c3cccc2ccc1)=O)C3=O)C(C1(CC(C2)C3)CC3CC2C1)=O

InChI

InChI=1S/C34H36N2O3/c1-21-10-11-29(22(2)14-21)35(33(39)34-18-23-15-24(19-34)17-25(16-23)20-34)12-5-13-36-31(37)27-8-3-6-26-7-4-9-28(30(26)27)32(36)38/h3-4,6-11,14,23-25H,5,12-13,15-20H2,1-2H3

InChI Key

GFTNVRJBBIIQJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01838231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.67

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.971

Distribution Coefficient, logD

7.971

Water Solubility, LogSw

-6.46

Polar Surface Area

44.166

Acid Dissociation Constant (pKa)

24.62

Base Dissociation Constant (pKb)

0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.10

0423-0669 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 0423-0669 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0423-0669?
Check Price and Availability of 0423-0669, 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 0423-0669 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0423-0669
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0423-0669
  • 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 0423-0669 available by request