S530-0144 Screening compound: N-(3-ethoxypropyl)-1'-methyl-4,5-dihydro-3H-spiro[1,4-benzoxazepine-2,4'-piperidine]-4-carboxamide

S530-0144 Screening compound: N-(3-ethoxypropyl)-1'-methyl-4,5-dihydro-3H-spiro[1,4-benzoxazepine-2,4'-piperidine]-4-carboxamide
S530-0144 Screening compound: N-(3-ethoxypropyl)-1'-methyl-4,5-dihydro-3H-spiro[1,4-benzoxazepine-2,4'-piperidine]-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S530-0144
N-(3-ethoxypropyl)-1'-methyl-4,5-dihydro-3H-spiro[1,4-benzoxazepine-2,4'-piperidine]-4-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

S530-0144

Molecular Formula

C20H31N3O3 (C20 H31 N3 O3)

Compound Name

N-(3-ethoxypropyl)-1'-methyl-4,5-dihydro-3H-spiro[1,4-benzoxazepine-2,4'-piperidine]-4-carboxamide

IUPAC name

N-(3-ethoxypropyl)-1'-methyl-45-dihydro-3H-spiro[14-benzoxazepine-24'-piperidine]-4-carboxamide

SMILES

CCOCCCNC(N1Cc(cccc2)c2OC2(CCN(C)CC2)C1)=O

InChI

InChI=1S/C20H31N3O3/c1-3-25-14-6-11-21-19(24)23-15-17-7-4-5-8-18(17)26-20(16-23)9-12-22(2)13-10-20/h4-5,7-8H,3,6,9-16H2,1-2H3,(H,21,24)

InChI Key

LGKQZEJXLIKPFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29008395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.201

Distribution Coefficient, logD

-0.080

Water Solubility, LogSw

-2.66

Polar Surface Area

44.338

Acid Dissociation Constant (pKa)

17.26

Base Dissociation Constant (pKb)

9.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

S530-0144 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Hemic and lymphatic
  • Nervous system
Targets:
  • Kinases
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S530-0144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S530-0144?
Check Price and Availability of S530-0144, 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 S530-0144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S530-0144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S530-0144
  • 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 S530-0144 available by request