8006-8158 Screening compound: 4-(2,5-dimethylphenyl)-10-oxa-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

8006-8158 Screening compound: 4-(2,5-dimethylphenyl)-10-oxa-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
8006-8158 Screening compound: 4-(2,5-dimethylphenyl)-10-oxa-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-8158
4-(2,5-dimethylphenyl)-10-oxa-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

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

8006-8158

Molecular Formula

C16H15NO3 (C16 H15 NO3)

Compound Name

4-(2,5-dimethylphenyl)-10-oxa-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

IUPAC name

4-(25-dimethylphenyl)-10-oxa-4-azatricyclo[5.2.1.0^{26}]dec-8-ene-35-dione

SMILES

Cc1cc(N(C(C(C23)C4OC3C=C4)=O)C2=O)c(C)cc1

InChI

InChI=1S/C16H15NO3/c1-8-3-4-9(2)10(7-8)17-15(18)13-11-5-6-12(20-11)14(13)16(17)19/h3-7,11-14H,1-2H3

InChI Key

BDFXNRUFFVMUNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00826746

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.917

Distribution Coefficient, logD

1.917

Water Solubility, LogSw

-2.18

Polar Surface Area

37.203

Acid Dissociation Constant (pKa)

17.01

Base Dissociation Constant (pKb)

-5.54

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

37.50

8006-8158 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8006-8158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-8158?
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What is the minimum amount of 8006-8158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-8158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-8158
  • 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 8006-8158 available by request