2041-2475 Screening compound: N'~12~-benzoyl-9,10-dimethyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2(7),3,5-triene-12-carbohydrazonamide

2041-2475 Screening compound: N'~12~-benzoyl-9,10-dimethyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2(7),3,5-triene-12-carbohydrazonamide
2041-2475 Screening compound: N'~12~-benzoyl-9,10-dimethyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2(7),3,5-triene-12-carbohydrazonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2041-2475
N'~12~-benzoyl-9,10-dimethyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2(7),3,5-triene-12-carbohydrazonamide

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

2041-2475

Molecular Formula

C21H22N4O3 (C21 H22 N4 O3)

Compound Name

N'~12~-benzoyl-9,10-dimethyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2(7),3,5-triene-12-carbohydrazonamide

IUPAC name

N'-[(E)-amino({910-dimethyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.0^{27}]trideca-2(7)35-trien-12-yl})methylidene]benzohydrazide

SMILES

CC(CC1C2/C(/N)=N\NC(c3ccccc3)=O)(N(C)C2=O)Oc2c1cccc2

InChI

InChI=1S/C21H22N4O3/c1-21-12-15(14-10-6-7-11-16(14)28-21)17(20(27)25(21)2)18(22)23-24-19(26)13-8-4-3-5-9-13/h3-11,15,17H,12H2,1-2H3,(H2,22,23)(H,24,26)

InChI Key

JILXMXHTFNYEGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01537320

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.894

Distribution Coefficient, logD

1.629

Water Solubility, LogSw

-2.78

Polar Surface Area

76.926

Acid Dissociation Constant (pKa)

7.47

Base Dissociation Constant (pKb)

1.33

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

28.60

2041-2475 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic

References: we are preparing a list of scientific research reports with 2041-2475 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2041-2475?
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What is the minimum amount of 2041-2475 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2041-2475
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2041-2475
  • 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 2041-2475 available by request