C200-5563 Screening compound: 7-chloro-4-(3-ethylphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-3-one

C200-5563 Screening compound: 7-chloro-4-(3-ethylphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-3-one
C200-5563 Screening compound: 7-chloro-4-(3-ethylphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-5563
7-chloro-4-(3-ethylphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-3-one

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

C200-5563

Molecular Formula

C17H16ClNO2 (C17 H16 ClNO2)

Compound Name

7-chloro-4-(3-ethylphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-3-one

IUPAC name

7-chloro-4-(3-ethylphenyl)-2345-tetrahydro-14-benzoxazepin-3-one

SMILES

CCc1cccc(N(Cc(cc(cc2)Cl)c2OC2)C2=O)c1

InChI

InChI=1S/C17H16ClNO2/c1-2-12-4-3-5-15(8-12)19-10-13-9-14(18)6-7-16(13)21-11-17(19)20/h3-9H,2,10-11H2,1H3

InChI Key

BLJTXEUTPBSINH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.77

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.164

Distribution Coefficient, logD

4.164

Water Solubility, LogSw

-4.42

Polar Surface Area

25.131

Acid Dissociation Constant (pKa)

22.47

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

C200-5563 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
Agro:
  • Agro
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C200-5563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-5563?
Check Price and Availability of C200-5563, 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 C200-5563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-5563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-5563
  • 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 C200-5563 available by request