C082-0065 Screening compound: 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(4-methoxyphenyl)-N~1~-methylacetamide

C082-0065 Screening compound: 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(4-methoxyphenyl)-N~1~-methylacetamide
C082-0065 Screening compound: 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(4-methoxyphenyl)-N~1~-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C082-0065
2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(4-methoxyphenyl)-N~1~-methylacetamide

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

C082-0065

Molecular Formula

C19H20N2O4 (C19 H20 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

CN(C(CN(C(C1C2C3C=CC1C3)=O)C2=O)=O)c(cc1)ccc1OC

InChI

InChI=1S/C19H20N2O4/c1-20(13-5-7-14(25-2)8-6-13)15(22)10-21-18(23)16-11-3-4-12(9-11)17(16)19(21)24/h3-8,11-12,16-17H,9-10H2,1-2H3

InChI Key

CIXMBGGLDZLJHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14717896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.724

Distribution Coefficient, logD

0.724

Water Solubility, LogSw

-1.43

Polar Surface Area

52.993

Acid Dissociation Constant (pKa)

18.15

Base Dissociation Constant (pKb)

1.07

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

42.10

C082-0065 in Drug Discovery

Included in Screening Libraries

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

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 C082-0065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C082-0065?
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What is the minimum amount of C082-0065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C082-0065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C082-0065
  • 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 C082-0065 available by request