S530-0141 Screening compound: 1'-methyl-N-(propan-2-yl)-4,5-dihydro-3H-spiro[1,4-benzoxazepine-2,4'-piperidine]-4-carboxamide

S530-0141 Screening compound: 1'-methyl-N-(propan-2-yl)-4,5-dihydro-3H-spiro[1,4-benzoxazepine-2,4'-piperidine]-4-carboxamide
S530-0141 Screening compound: 1'-methyl-N-(propan-2-yl)-4,5-dihydro-3H-spiro[1,4-benzoxazepine-2,4'-piperidine]-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S530-0141
1'-methyl-N-(propan-2-yl)-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

S530-0141

Molecular Formula

C18H27N3O2 (C18 H27 N3 O2)

Compound Name

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

IUPAC name

1'-methyl-N-(propan-2-yl)-45-dihydro-3H-spiro[14-benzoxazepine-24'-piperidine]-4-carboxamide

SMILES

CC(C)NC(N1Cc(cccc2)c2OC2(CCN(C)CC2)C1)=O

InChI

InChI=1S/C18H27N3O2/c1-14(2)19-17(22)21-12-15-6-4-5-7-16(15)23-18(13-21)8-10-20(3)11-9-18/h4-7,14H,8-13H2,1-3H3,(H,19,22)

InChI Key

GBULHVVAIJHCMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29008393

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.313

Distribution Coefficient, logD

0.032

Water Solubility, LogSw

-2.70

Polar Surface Area

35.493

Acid Dissociation Constant (pKa)

17.08

Base Dissociation Constant (pKb)

9.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

S530-0141 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S530-0141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S530-0141?
Check Price and Availability of S530-0141, 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 S530-0141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S530-0141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S530-0141
  • 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 S530-0141 available by request