C082-0008 Screening compound: N~1~-(2,3-dimethylphenyl)-2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetamide

C082-0008 Screening compound: N~1~-(2,3-dimethylphenyl)-2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetamide
C082-0008 Screening compound: N~1~-(2,3-dimethylphenyl)-2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C082-0008
N~1~-(2,3-dimethylphenyl)-2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetamide

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

C082-0008

Molecular Formula

C19H20N2O3 (C19 H20 N2 O3)

Compound Name

N~1~-(2,3-dimethylphenyl)-2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetamide

IUPAC name

N-(23-dimethylphenyl)-2-{35-dioxo-4-azatricyclo[5.2.1.0^{26}]dec-8-en-4-yl}acetamide

SMILES

Cc1cccc(NC(CN(C(C2C3C4C=CC2C4)=O)C3=O)=O)c1C

InChI

InChI=1S/C19H20N2O3/c1-10-4-3-5-14(11(10)2)20-15(22)9-21-18(23)16-12-6-7-13(8-12)17(16)19(21)24/h3-7,12-13,16-17H,8-9H2,1-2H3,(H,20,22)

InChI Key

GKLQGBCMLNLWKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03186788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.076

Distribution Coefficient, logD

2.076

Water Solubility, LogSw

-2.51

Polar Surface Area

52.788

Acid Dissociation Constant (pKa)

12.54

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

42.10

C082-0008 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C082-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C082-0008?
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What is the minimum amount of C082-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C082-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C082-0008
  • 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 C082-0008 available by request