J007-0801 Screening compound: methyl 4-{[2-(2-chlorophenyl)azepane-1-carbonyl]amino}benzoate

J007-0801 Screening compound: methyl 4-{[2-(2-chlorophenyl)azepane-1-carbonyl]amino}benzoate
J007-0801 Screening compound: methyl 4-{[2-(2-chlorophenyl)azepane-1-carbonyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound J007-0801
methyl 4-{[2-(2-chlorophenyl)azepane-1-carbonyl]amino}benzoate

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

J007-0801

Molecular Formula

C21H23ClN2O3 (C21 H23 ClN2 O3)

Compound Name

methyl 4-{[2-(2-chlorophenyl)azepane-1-carbonyl]amino}benzoate

IUPAC name

methyl 4-{[2-(2-chlorophenyl)azepane-1-carbonyl]amino}benzoate

SMILES

COC(c(cc1)ccc1NC(N(CCCCC1)C1c(cccc1)c1Cl)=O)=O

InChI

InChI=1S/C21H23ClN2O3/c1-27-20(25)15-10-12-16(13-11-15)23-21(26)24-14-6-2-3-9-19(24)17-7-4-5-8-18(17)22/h4-5,7-8,10-13,19H,2-3,6,9,14H2,1H3,(H,23,26)/t19-/m0/s1

InChI Key

RBHWFAVPYKDLFA-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27216129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.88

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.186

Distribution Coefficient, logD

5.186

Water Solubility, LogSw

-5.59

Polar Surface Area

46.635

Acid Dissociation Constant (pKa)

13.19

Base Dissociation Constant (pKb)

-0.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

J007-0801 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Endocrine
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J007-0801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J007-0801?
Check Price and Availability of J007-0801, 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 J007-0801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J007-0801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J007-0801
  • 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 J007-0801 available by request