S555-1390 Screening compound: 2-methoxy-N-(4-phenylmethanesulfonyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)acetamide

S555-1390 Screening compound: 2-methoxy-N-(4-phenylmethanesulfonyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)acetamide
S555-1390 Screening compound: 2-methoxy-N-(4-phenylmethanesulfonyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S555-1390
2-methoxy-N-(4-phenylmethanesulfonyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)acetamide

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

S555-1390

Molecular Formula

C19H22N2O5S (C19 H22 N2 O5 S)

Compound Name

2-methoxy-N-(4-phenylmethanesulfonyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)acetamide

IUPAC name

2-methoxy-N-(4-phenylmethanesulfonyl-2345-tetrahydro-14-benzoxazepin-7-yl)acetamide

SMILES

COCC(Nc(cc1)cc(C2)c1OCCN2S(Cc1ccccc1)(=O)=O)=O

InChI

InChI=1S/C19H22N2O5S/c1-25-13-19(22)20-17-7-8-18-16(11-17)12-21(9-10-26-18)27(23,24)14-15-5-3-2-4-6-15/h2-8,11H,9-10,12-14H2,1H3,(H,20,22)

InChI Key

FUENKMRWUGTTOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31990560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.830

Distribution Coefficient, logD

1.830

Water Solubility, LogSw

-2.66

Polar Surface Area

71.361

Acid Dissociation Constant (pKa)

12.28

Base Dissociation Constant (pKb)

3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.58

S555-1390 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 S555-1390 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S555-1390?
Check Price and Availability of S555-1390, 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 S555-1390 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S555-1390
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S555-1390
  • 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 S555-1390 available by request