C205-0061 Screening compound: 2-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[3-(pyrrolidin-1-yl)propyl]acetamide

C205-0061 Screening compound: 2-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[3-(pyrrolidin-1-yl)propyl]acetamide
C205-0061 Screening compound: 2-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[3-(pyrrolidin-1-yl)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C205-0061
2-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[3-(pyrrolidin-1-yl)propyl]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

C205-0061

Molecular Formula

C18H25N3O3 (C18 H25 N3 O3)

Compound Name

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

IUPAC name

2-(6-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl)-N-[3-(pyrrolidin-1-yl)propyl]acetamide

SMILES

Cc(cc1)cc(N2CC(NCCCN3CCCC3)=O)c1OCC2=O

InChI

InChI=1S/C18H25N3O3/c1-14-5-6-16-15(11-14)21(18(23)13-24-16)12-17(22)19-7-4-10-20-8-2-3-9-20/h5-6,11H,2-4,7-10,12-13H2,1H3,(H,19,22)

InChI Key

DBMSCJKEWSQOIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14732075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.41

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

0.976

Distribution Coefficient, logD

-2.115

Water Solubility, LogSw

-2.19

Polar Surface Area

52.730

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

10.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

C205-0061 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with C205-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C205-0061?
Check Price and Availability of C205-0061, 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 C205-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C205-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C205-0061
  • 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 C205-0061 available by request