8012-7259 Screening compound: 2a,5,5,8b-tetramethyloctahydro-2,6-dioxa-8a-azacyclopenta[cd]azulen-1-one

8012-7259 Screening compound: 2a,5,5,8b-tetramethyloctahydro-2,6-dioxa-8a-azacyclopenta[cd]azulen-1-one
8012-7259 Screening compound: 2a,5,5,8b-tetramethyloctahydro-2,6-dioxa-8a-azacyclopenta[cd]azulen-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7259
2a,5,5,8b-tetramethyloctahydro-2,6-dioxa-8a-azacyclopenta[cd]azulen-1-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

8012-7259

Molecular Formula

C13H21NO3 (C13 H21 NO3)

Compound Name

2a,5,5,8b-tetramethyloctahydro-2,6-dioxa-8a-azacyclopenta[cd]azulen-1-one

IUPAC name

48812-tetramethyl-39-dioxa-1-azatricyclo[5.4.1.0^{412}]dodecan-2-one

SMILES

CC1(C2(C)N3CCOC(C)(C)C2CC1)OC3=O

InChI

InChI=1S/C13H21NO3/c1-11(2)9-5-6-12(3)13(9,4)14(7-8-16-11)10(15)17-12/h9H,5-8H2,1-4H3

InChI Key

ZWWCSLNKKSSOED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03133686

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

239.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.309

Distribution Coefficient, logD

2.309

Water Solubility, LogSw

-2.05

Polar Surface Area

32.086

Acid Dissociation Constant (pKa)

26.06

Base Dissociation Constant (pKb)

-5.08

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

92.30

8012-7259 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8012-7259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7259?
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What is the minimum amount of 8012-7259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7259
  • 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 8012-7259 available by request