C205-0436 Screening compound: 2-(2-ethyl-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide

C205-0436 Screening compound: 2-(2-ethyl-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide
C205-0436 Screening compound: 2-(2-ethyl-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C205-0436
2-(2-ethyl-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[(4-methoxyphenyl)methyl]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

C205-0436

Molecular Formula

C21H24N2O4 (C21 H24 N2 O4)

Compound Name

2-(2-ethyl-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide

IUPAC name

2-(2-ethyl-6-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide

SMILES

CCC1Oc(ccc(C)c2)c2N(CC(NCc(cc2)ccc2OC)=O)C1=O

InChI

InChI=1S/C21H24N2O4/c1-4-18-21(25)23(17-11-14(2)5-10-19(17)27-18)13-20(24)22-12-15-6-8-16(26-3)9-7-15/h5-11,18H,4,12-13H2,1-3H3,(H,22,24)/t18-/m0/s1

InChI Key

COYVNTVHPHQPQU-SFHVURJKSA-N

MDL Number (MFCD)

MFCD04206059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.284

Distribution Coefficient, logD

3.284

Water Solubility, LogSw

-3.55

Polar Surface Area

55.282

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-1.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

C205-0436 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 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

References: we are preparing a list of scientific research reports with C205-0436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C205-0436?
Check Price and Availability of C205-0436, 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 C205-0436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C205-0436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C205-0436
  • 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 C205-0436 available by request