8015-3107 Screening compound: 11-ethyl-3,5,11,11a-tetramethyl-6,7,11,11a-tetrahydro-4H-[1,3]oxazolo[3',4':1,2]azepino[5,4,3-cd]indol-9-one

8015-3107 Screening compound: 11-ethyl-3,5,11,11a-tetramethyl-6,7,11,11a-tetrahydro-4H-[1,3]oxazolo[3',4':1,2]azepino[5,4,3-cd]indol-9-one
8015-3107 Screening compound: 11-ethyl-3,5,11,11a-tetramethyl-6,7,11,11a-tetrahydro-4H-[1,3]oxazolo[3',4':1,2]azepino[5,4,3-cd]indol-9-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-3107
11-ethyl-3,5,11,11a-tetramethyl-6,7,11,11a-tetrahydro-4H-[1,3]oxazolo[3',4':1,2]azepino[5,4,3-cd]indol-9-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

8015-3107

Molecular Formula

C19H24N2O2 (C19 H24 N2 O2)

Compound Name

11-ethyl-3,5,11,11a-tetramethyl-6,7,11,11a-tetrahydro-4H-[1,3]oxazolo[3',4':1,2]azepino[5,4,3-cd]indol-9-one

IUPAC name

3-ethyl-231013-tetramethyl-4-oxa-611-diazatetracyclo[7.6.1.0^{26}.0^{1216}]hexadeca-1(15)912(16)13-tetraen-5-one

SMILES

CCC(C)(C1(C)N2CCc3c(C)[nH]c4c(C)ccc1c34)OC2=O

InChI

InChI=1S/C19H24N2O2/c1-6-18(4)19(5)14-8-7-11(2)16-15(14)13(12(3)20-16)9-10-21(19)17(22)23-18/h7-8,20H,6,9-10H2,1-5H3

InChI Key

WDGAFIUVLUWDTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04060570

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.648

Distribution Coefficient, logD

4.648

Water Solubility, LogSw

-4.52

Polar Surface Area

34.863

Acid Dissociation Constant (pKa)

18.16

Base Dissociation Constant (pKb)

-3.13

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.60

8015-3107 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

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

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8015-3107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-3107?
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What is the minimum amount of 8015-3107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-3107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-3107
  • 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 8015-3107 available by request