S562-0137 Screening compound: 1-(4-methoxyphenyl)-N-[(7-oxoazepan-2-yl)methyl]cyclopropane-1-carboxamide

S562-0137 Screening compound: 1-(4-methoxyphenyl)-N-[(7-oxoazepan-2-yl)methyl]cyclopropane-1-carboxamide
S562-0137 Screening compound: 1-(4-methoxyphenyl)-N-[(7-oxoazepan-2-yl)methyl]cyclopropane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S562-0137
1-(4-methoxyphenyl)-N-[(7-oxoazepan-2-yl)methyl]cyclopropane-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

S562-0137

Molecular Formula

C18H24N2O3 (C18 H24 N2 O3)

Compound Name

1-(4-methoxyphenyl)-N-[(7-oxoazepan-2-yl)methyl]cyclopropane-1-carboxamide

IUPAC name

1-(4-methoxyphenyl)-N-[(7-oxoazepan-2-yl)methyl]cyclopropane-1-carboxamide

SMILES

COc1ccc(C2(CC2)C(NCC(CCCC2)NC2=O)=O)cc1

InChI

InChI=1S/C18H24N2O3/c1-23-15-8-6-13(7-9-15)18(10-11-18)17(22)19-12-14-4-2-3-5-16(21)20-14/h6-9,14H,2-5,10-12H2,1H3,(H,19,22)(H,20,21)/t14-/m1/s1

InChI Key

NVBDJIXUKBMAQC-CQSZACIVSA-N

MDL Number (MFCD)

MFCD31990097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.566

Distribution Coefficient, logD

1.566

Water Solubility, LogSw

-2.03

Polar Surface Area

58.530

Acid Dissociation Constant (pKa)

14.18

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.56

S562-0137 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Cardiovascular Library (22201 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S562-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S562-0137?
Check Price and Availability of S562-0137, 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 S562-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S562-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S562-0137
  • 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 S562-0137 available by request