N039-0004 Screening compound: methyl 3a-ethyl-2,3,3a,4,6,11,12,13a-octahydro-1H-indolizino[8,1-cd]carbazole-5-carboxylate

N039-0004 Screening compound: methyl 3a-ethyl-2,3,3a,4,6,11,12,13a-octahydro-1H-indolizino[8,1-cd]carbazole-5-carboxylate
N039-0004 Screening compound: methyl 3a-ethyl-2,3,3a,4,6,11,12,13a-octahydro-1H-indolizino[8,1-cd]carbazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound N039-0004
methyl 3a-ethyl-2,3,3a,4,6,11,12,13a-octahydro-1H-indolizino[8,1-cd]carbazole-5-carboxylate

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

N039-0004

Molecular Formula

C21H26N2O2 (C21 H26 N2 O2)

Compound Name

methyl 3a-ethyl-2,3,3a,4,6,11,12,13a-octahydro-1H-indolizino[8,1-cd]carbazole-5-carboxylate

IUPAC name

methyl 12-ethyl-816-diazapentacyclo[10.6.1.0^{19}.0^{27}.0^{1619}]nonadeca-2(7)359-tetraene-10-carboxylate

SMILES

CCC1(CC(C(OC)=O)=C(C23CC4)Nc5c2cccc5)C3N4CCC1

InChI

InChI=1S/C21H26N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-5,7-8,19,22H,3,6,9-13H2,1-2H3

InChI Key

GIGFIWJRTMBSRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01079902

Chemical and Physical Properties

Saltdata

HI

Molecular Weight

338.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.472

Distribution Coefficient, logD

1.172

Water Solubility, LogSw

-3.67

Polar Surface Area

36.260

Acid Dissociation Constant (pKa)

9.40

Base Dissociation Constant (pKb)

7.92

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

57.10

N039-0004 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiviral Library (67538 compounds)

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

CNS BBB Library (22607 compounds)

DGK Inhibitors Library (10558 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Natural Compounds Library (353 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with N039-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N039-0004?
Check Price and Availability of N039-0004, 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 N039-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N039-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N039-0004
  • 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 N039-0004 available by request