8016-6407 Screening compound: ethyl 3-acetyl-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole-8-carboxylate

8016-6407 Screening compound: ethyl 3-acetyl-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole-8-carboxylate
8016-6407 Screening compound: ethyl 3-acetyl-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole-8-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6407
ethyl 3-acetyl-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole-8-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

8016-6407

Molecular Formula

C19H22N2O3 (C19 H22 N2 O3)

Compound Name

ethyl 3-acetyl-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole-8-carboxylate

IUPAC name

ethyl 4-acetyl-14-diazatetracyclo[7.6.1.0^{516}.0^{1015}]hexadeca-9(16)10(15)1113-tetraene-12-carboxylate

SMILES

CCOC(c(cc1)cc2c1n(CC1)c3c2CCCC3N1C(C)=O)=O

InChI

InChI=1S/C19H22N2O3/c1-3-24-19(23)13-7-8-16-15(11-13)14-5-4-6-17-18(14)21(16)10-9-20(17)12(2)22/h7-8,11,17H,3-6,9-10H2,1-2H3/t17-/m0/s1

InChI Key

CSKZFWORWNOTKL-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD05857977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.869

Distribution Coefficient, logD

3.869

Water Solubility, LogSw

-4.00

Polar Surface Area

37.826

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.40

8016-6407 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

DGK Inhibitors Library (10558 compounds)

Soluble Diversity Library (15920 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8016-6407 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6407?
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What is the minimum amount of 8016-6407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6407
  • 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 8016-6407 available by request