7445-0097 Screening compound: 2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[3-(methylsulfanyl)phenyl]acetamide

7445-0097 Screening compound: 2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[3-(methylsulfanyl)phenyl]acetamide
7445-0097 Screening compound: 2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[3-(methylsulfanyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7445-0097
2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[3-(methylsulfanyl)phenyl]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

7445-0097

Molecular Formula

C17H15ClN2O3S (C17 H15 ClN2 O3 S)

Compound Name

2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[3-(methylsulfanyl)phenyl]acetamide

IUPAC name

n/a

SMILES

CSc1cccc(NC(CN2c(cc(cc3)Cl)c3OCC2=O)=O)c1

InChI

InChI=1S/C17H15ClN2O3S/c1-24-13-4-2-3-12(8-13)19-16(21)9-20-14-7-11(18)5-6-15(14)23-10-17(20)22/h2-8H,9-10H2,1H3,(H,19,21)

InChI Key

SOLYVHQIOWOOLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06636505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.84

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.204

Distribution Coefficient, logD

3.204

Water Solubility, LogSw

-3.49

Polar Surface Area

47.218

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

7445-0097 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7445-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7445-0097?
Check Price and Availability of 7445-0097, 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 7445-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7445-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7445-0097
  • 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 7445-0097 available by request