J007-1030 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)azepane-1-carboxamide

J007-1030 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)azepane-1-carboxamide
J007-1030 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)azepane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J007-1030
N-(2H-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)azepane-1-carboxamide

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

J007-1030

Molecular Formula

C20H21ClN2O3 (C20 H21 ClN2 O3)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)azepane-1-carboxamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-(4-chlorophenyl)azepane-1-carboxamide

SMILES

O=C(Nc(cc1)cc2c1OCO2)N(CCCCC1)C1c(cc1)ccc1Cl

InChI

InChI=1S/C20H21ClN2O3/c21-15-7-5-14(6-8-15)17-4-2-1-3-11-23(17)20(24)22-16-9-10-18-19(12-16)26-13-25-18/h5-10,12,17H,1-4,11,13H2,(H,22,24)/t17-/m0/s1

InChI Key

SFFNAOKIAWMBCT-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD18485127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.913

Distribution Coefficient, logD

4.913

Water Solubility, LogSw

-5.21

Polar Surface Area

42.576

Acid Dissociation Constant (pKa)

13.41

Base Dissociation Constant (pKb)

2.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

J007-1030 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with J007-1030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J007-1030?
Check Price and Availability of J007-1030, 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 J007-1030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J007-1030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J007-1030
  • 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 J007-1030 available by request