C205-0096 Screening compound: 3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-(propan-2-yl)propanamide

C205-0096 Screening compound: 3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-(propan-2-yl)propanamide
C205-0096 Screening compound: 3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-(propan-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C205-0096
3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-(propan-2-yl)propanamide

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

C205-0096

Molecular Formula

C15H20N2O3 (C15 H20 N2 O3)

Compound Name

3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-(propan-2-yl)propanamide

IUPAC name

3-(6-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl)-N-(propan-2-yl)propanamide

SMILES

CC(C)NC(CCN1c(cc(C)cc2)c2OCC1=O)=O

InChI

InChI=1S/C15H20N2O3/c1-10(2)16-14(18)6-7-17-12-8-11(3)4-5-13(12)20-9-15(17)19/h4-5,8,10H,6-7,9H2,1-3H3,(H,16,18)

InChI Key

MDHQSWYTRGLCPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14732096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.437

Distribution Coefficient, logD

1.437

Water Solubility, LogSw

-2.13

Polar Surface Area

47.764

Acid Dissociation Constant (pKa)

14.73

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

C205-0096 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Soluble Diversity Library (15920 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
  • Pool

References: we are preparing a list of scientific research reports with C205-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C205-0096?
Check Price and Availability of C205-0096, 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 C205-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C205-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C205-0096
  • 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 C205-0096 available by request