E456-2218 Screening compound: N-(9-ethyl-9H-carbazol-3-yl)-2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

E456-2218 Screening compound: N-(9-ethyl-9H-carbazol-3-yl)-2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
E456-2218 Screening compound: N-(9-ethyl-9H-carbazol-3-yl)-2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E456-2218
N-(9-ethyl-9H-carbazol-3-yl)-2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

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

E456-2218

Molecular Formula

C31H25N3O3 (C31 H25 N3 O3)

Compound Name

N-(9-ethyl-9H-carbazol-3-yl)-2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

IUPAC name

N-(9-ethyl-9H-carbazol-3-yl)-2-(3-methoxyphenyl)-1-oxo-12-dihydroisoquinoline-4-carboxamide

SMILES

CCn1c(ccc(NC(C(c2c3cccc2)=CN(c2cc(OC)ccc2)C3=O)=O)c2)c2c2c1cccc2

InChI

InChI=1S/C31H25N3O3/c1-3-33-28-14-7-6-12-24(28)26-17-20(15-16-29(26)33)32-30(35)27-19-34(21-9-8-10-22(18-21)37-2)31(36)25-13-5-4-11-23(25)27/h4-19H,3H2,1-2H3,(H,32,35)

InChI Key

BNWXVSBWDSHVLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14854132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.031

Distribution Coefficient, logD

6.031

Water Solubility, LogSw

-5.76

Polar Surface Area

47.089

Acid Dissociation Constant (pKa)

12.13

Base Dissociation Constant (pKb)

-0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.70

E456-2218 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

DGK Inhibitors Library (10558 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E456-2218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E456-2218?
Check Price and Availability of E456-2218, 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 E456-2218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E456-2218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E456-2218
  • 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 E456-2218 available by request