J007-1246 Screening compound: methyl 2-{[2-(4-chlorophenyl)azepane-1-carbonyl]amino}acetate

J007-1246 Screening compound: methyl 2-{[2-(4-chlorophenyl)azepane-1-carbonyl]amino}acetate
J007-1246 Screening compound: methyl 2-{[2-(4-chlorophenyl)azepane-1-carbonyl]amino}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound J007-1246
methyl 2-{[2-(4-chlorophenyl)azepane-1-carbonyl]amino}acetate

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

J007-1246

Molecular Formula

C16H21ClN2O3 (C16 H21 ClN2 O3)

Compound Name

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

IUPAC name

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

SMILES

COC(CNC(N(CCCCC1)C1c(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C16H21ClN2O3/c1-22-15(20)11-18-16(21)19-10-4-2-3-5-14(19)12-6-8-13(17)9-7-12/h6-9,14H,2-5,10-11H2,1H3,(H,18,21)/t14-/m0/s1

InChI Key

NDNRTSPCWOXWSR-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD18488440

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.81

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

3.140

Distribution Coefficient, logD

3.140

Water Solubility, LogSw

-3.80

Polar Surface Area

47.634

Acid Dissociation Constant (pKa)

15.99

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

J007-1246 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with J007-1246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J007-1246?
Check Price and Availability of J007-1246, 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 J007-1246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J007-1246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J007-1246
  • 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 J007-1246 available by request