C205-0003 Screening compound: 6-methyl-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

C205-0003 Screening compound: 6-methyl-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one
C205-0003 Screening compound: 6-methyl-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C205-0003
6-methyl-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazin-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

C205-0003

Molecular Formula

C15H18N2O3 (C15 H18 N2 O3)

Compound Name

6-methyl-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

n/a

SMILES

Cc(cc1)cc(N2CC(N3CCCC3)=O)c1OCC2=O

InChI

InChI=1S/C15H18N2O3/c1-11-4-5-13-12(8-11)17(15(19)10-20-13)9-14(18)16-6-2-3-7-16/h4-5,8H,2-3,6-7,9-10H2,1H3

InChI Key

AHHLKGDLNDYWJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04205956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

274.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.328

Distribution Coefficient, logD

1.328

Water Solubility, LogSw

-2.00

Polar Surface Area

40.827

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

C205-0003 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C205-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C205-0003?
Check Price and Availability of C205-0003, 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 C205-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C205-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C205-0003
  • 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 C205-0003 available by request