J007-1046 Screening compound: ethyl 4-({[2-(3-methylphenyl)azepane-1-carbonyl]amino}methyl)cyclohexane-1-carboxylate

J007-1046 Screening compound: ethyl 4-({[2-(3-methylphenyl)azepane-1-carbonyl]amino}methyl)cyclohexane-1-carboxylate
J007-1046 Screening compound: ethyl 4-({[2-(3-methylphenyl)azepane-1-carbonyl]amino}methyl)cyclohexane-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound J007-1046
ethyl 4-({[2-(3-methylphenyl)azepane-1-carbonyl]amino}methyl)cyclohexane-1-carboxylate

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

J007-1046

Molecular Formula

C24H36N2O3 (C24 H36 N2 O3)

Compound Name

ethyl 4-({[2-(3-methylphenyl)azepane-1-carbonyl]amino}methyl)cyclohexane-1-carboxylate

IUPAC name

ethyl 4-({[2-(3-methylphenyl)azepane-1-carbonyl]amino}methyl)cyclohexane-1-carboxylate

SMILES

CCOC(C1CCC(CNC(N(CCCCC2)C2c2cc(C)ccc2)=O)CC1)=O

InChI

InChI=1S/C24H36N2O3/c1-3-29-23(27)20-13-11-19(12-14-20)17-25-24(28)26-15-6-4-5-10-22(26)21-9-7-8-18(2)16-21/h7-9,16,19-20,22H,3-6,10-15,17H2,1-2H3,(H,25,28)/t19?,20?,22-/m0/s1

InChI Key

BCQBFLLMKZXZAC-AOMIVXANSA-N

MDL Number (MFCD)

MFCD27216162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.586

Distribution Coefficient, logD

5.586

Water Solubility, LogSw

-5.23

Polar Surface Area

47.729

Acid Dissociation Constant (pKa)

16.79

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

J007-1046 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J007-1046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J007-1046?
Check Price and Availability of J007-1046, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J007-1046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J007-1046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J007-1046
  • 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 J007-1046 available by request