J007-1226 Screening compound: ethyl 3-{[2-(3-methylphenyl)azepane-1-carbonyl]amino}propanoate

J007-1226 Screening compound: ethyl 3-{[2-(3-methylphenyl)azepane-1-carbonyl]amino}propanoate
J007-1226 Screening compound: ethyl 3-{[2-(3-methylphenyl)azepane-1-carbonyl]amino}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound J007-1226
ethyl 3-{[2-(3-methylphenyl)azepane-1-carbonyl]amino}propanoate

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

J007-1226

Molecular Formula

C19H28N2O3 (C19 H28 N2 O3)

Compound Name

ethyl 3-{[2-(3-methylphenyl)azepane-1-carbonyl]amino}propanoate

IUPAC name

ethyl 3-{[2-(3-methylphenyl)azepane-1-carbonyl]amino}propanoate

SMILES

CCOC(CCNC(N(CCCCC1)C1c1cc(C)ccc1)=O)=O

InChI

InChI=1S/C19H28N2O3/c1-3-24-18(22)11-12-20-19(23)21-13-6-4-5-10-17(21)16-9-7-8-15(2)14-16/h7-9,14,17H,3-6,10-13H2,1-2H3,(H,20,23)/t17-/m0/s1

InChI Key

OPPHOYFOBFNDOP-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27216199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.902

Distribution Coefficient, logD

3.902

Water Solubility, LogSw

-3.66

Polar Surface Area

47.055

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

J007-1226 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 J007-1226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J007-1226?
Check Price and Availability of J007-1226, 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 J007-1226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J007-1226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J007-1226
  • 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 J007-1226 available by request