S555-1198 Screening compound: 2-methoxy-N-[4-(oxane-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]acetamide

S555-1198 Screening compound: 2-methoxy-N-[4-(oxane-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]acetamide
S555-1198 Screening compound: 2-methoxy-N-[4-(oxane-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S555-1198
2-methoxy-N-[4-(oxane-4-carbonyl)-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

S555-1198

Molecular Formula

C18H24N2O5 (C18 H24 N2 O5)

Compound Name

2-methoxy-N-[4-(oxane-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]acetamide

IUPAC name

2-methoxy-N-[4-(oxane-4-carbonyl)-2345-tetrahydro-14-benzoxazepin-7-yl]acetamide

SMILES

COCC(Nc(cc1)cc(C2)c1OCCN2C(C1CCOCC1)=O)=O

InChI

InChI=1S/C18H24N2O5/c1-23-12-17(21)19-15-2-3-16-14(10-15)11-20(6-9-25-16)18(22)13-4-7-24-8-5-13/h2-3,10,13H,4-9,11-12H2,1H3,(H,19,21)

InChI Key

SPCRMJKAUIGQFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32224804

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.239

Distribution Coefficient, logD

1.239

Water Solubility, LogSw

-2.25

Polar Surface Area

64.505

Acid Dissociation Constant (pKa)

12.37

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.56

S555-1198 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S555-1198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S555-1198?
Check Price and Availability of S555-1198, 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 S555-1198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S555-1198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S555-1198
  • 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 S555-1198 available by request