C082-0106 Screening compound: 3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(1,2,3,4-tetrahydro-1-naphthalenyl)propanamide

C082-0106 Screening compound: 3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(1,2,3,4-tetrahydro-1-naphthalenyl)propanamide
C082-0106 Screening compound: 3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(1,2,3,4-tetrahydro-1-naphthalenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C082-0106
3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(1,2,3,4-tetrahydro-1-naphthalenyl)propanamide

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

C082-0106

Molecular Formula

C22H24N2O3 (C22 H24 N2 O3)

Compound Name

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

IUPAC name

3-{35-dioxo-4-azatricyclo[5.2.1.0^{26}]dec-8-en-4-yl}-N-(1234-tetrahydronaphthalen-1-yl)propanamide

SMILES

O=C(CCN(C(C1C2C3C=CC1C3)=O)C2=O)NC(CCC1)c2c1cccc2

InChI

InChI=1S/C22H24N2O3/c25-18(23-17-7-3-5-13-4-1-2-6-16(13)17)10-11-24-21(26)19-14-8-9-15(12-14)20(19)22(24)27/h1-2,4,6,8-9,14-15,17,19-20H,3,5,7,10-12H2,(H,23,25)

InChI Key

LUYDYUNUZBCJEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05028985

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.262

Distribution Coefficient, logD

2.262

Water Solubility, LogSw

-2.66

Polar Surface Area

54.630

Acid Dissociation Constant (pKa)

11.68

Base Dissociation Constant (pKb)

-3.49

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

50.00

C082-0106 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with C082-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C082-0106?
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What is the minimum amount of C082-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C082-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C082-0106
  • 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 C082-0106 available by request