S555-1546 Screening compound: N-[4-(3-phenylpropanoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide

S555-1546 Screening compound: N-[4-(3-phenylpropanoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide
S555-1546 Screening compound: N-[4-(3-phenylpropanoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S555-1546
N-[4-(3-phenylpropanoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide

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

S555-1546

Molecular Formula

C22H24N2O3 (C22 H24 N2 O3)

Compound Name

N-[4-(3-phenylpropanoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide

IUPAC name

N-[4-(3-phenylpropanoyl)-2345-tetrahydro-14-benzoxazepin-7-yl]cyclopropanecarboxamide

SMILES

O=C(CCc1ccccc1)N1Cc(cc(cc2)NC(C3CC3)=O)c2OCC1

InChI

InChI=1S/C22H24N2O3/c25-21(11-6-16-4-2-1-3-5-16)24-12-13-27-20-10-9-19(14-18(20)15-24)23-22(26)17-7-8-17/h1-5,9-10,14,17H,6-8,11-13,15H2,(H,23,26)

InChI Key

IIVBCSOCIKPHPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32224892

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.479

Distribution Coefficient, logD

3.479

Water Solubility, LogSw

-3.59

Polar Surface Area

47.918

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

6.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.36

S555-1546 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S555-1546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S555-1546?
Check Price and Availability of S555-1546, 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 S555-1546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S555-1546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S555-1546
  • 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 S555-1546 available by request