S555-1673 Screening compound: 7-cyclopropaneamido-N,N-diethyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide

S555-1673 Screening compound: 7-cyclopropaneamido-N,N-diethyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide
S555-1673 Screening compound: 7-cyclopropaneamido-N,N-diethyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S555-1673
7-cyclopropaneamido-N,N-diethyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-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

S555-1673

Molecular Formula

C18H25N3O3 (C18 H25 N3 O3)

Compound Name

7-cyclopropaneamido-N,N-diethyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide

IUPAC name

7-cyclopropaneamido-NN-diethyl-2345-tetrahydro-14-benzoxazepine-4-carboxamide

SMILES

CCN(CC)C(N1Cc(cc(cc2)NC(C3CC3)=O)c2OCC1)=O

InChI

InChI=1S/C18H25N3O3/c1-3-20(4-2)18(23)21-9-10-24-16-8-7-15(11-14(16)12-21)19-17(22)13-5-6-13/h7-8,11,13H,3-6,9-10,12H2,1-2H3,(H,19,22)

InChI Key

PFYRZMPOAUGMIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31990802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.41

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

2.704

Distribution Coefficient, logD

2.704

Water Solubility, LogSw

-3.09

Polar Surface Area

49.535

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

6.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.56

S555-1673 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S555-1673 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S555-1673?
Check Price and Availability of S555-1673, 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 S555-1673 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S555-1673
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S555-1673
  • 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 S555-1673 available by request