8006-4104 Screening compound: 2,4-dichloro-N~1~-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)benzamide

8006-4104 Screening compound: 2,4-dichloro-N~1~-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)benzamide
8006-4104 Screening compound: 2,4-dichloro-N~1~-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-4104
2,4-dichloro-N~1~-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)benzamide

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

8006-4104

Molecular Formula

C16H12Cl2N2O3 (C16 H12 Cl2 N2 O3)

Compound Name

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

IUPAC name

24-dichloro-N-{35-dioxo-4-azatricyclo[5.2.1.0^{26}]dec-8-en-4-yl}benzamide

SMILES

O=C(c(ccc(Cl)c1)c1Cl)NN(C(C1C2C3C=CC1C3)=O)C2=O

InChI

InChI=1S/C16H12Cl2N2O3/c17-9-3-4-10(11(18)6-9)14(21)19-20-15(22)12-7-1-2-8(5-7)13(12)16(20)23/h1-4,6-8,12-13H,5H2,(H,19,21)

InChI Key

HSZNSVLYPJLCRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00685667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.19

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.862

Distribution Coefficient, logD

1.254

Water Solubility, LogSw

-3.27

Polar Surface Area

56.737

Acid Dissociation Constant (pKa)

6.92

Base Dissociation Constant (pKb)

-4.90

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

31.30

8006-4104 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8006-4104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-4104?
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What is the minimum amount of 8006-4104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-4104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-4104
  • 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 8006-4104 available by request