C205-0067 Screening compound: ethyl 4-[3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)propanoyl]piperazine-1-carboxylate

C205-0067 Screening compound: ethyl 4-[3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)propanoyl]piperazine-1-carboxylate
C205-0067 Screening compound: ethyl 4-[3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)propanoyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C205-0067
ethyl 4-[3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)propanoyl]piperazine-1-carboxylate

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

C205-0067

Molecular Formula

C19H25N3O5 (C19 H25 N3 O5)

Compound Name

ethyl 4-[3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)propanoyl]piperazine-1-carboxylate

IUPAC name

ethyl 4-[3-(6-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl)propanoyl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(CCN1c(cc(C)cc2)c2OCC1=O)=O)=O

InChI

InChI=1S/C19H25N3O5/c1-3-26-19(25)21-10-8-20(9-11-21)17(23)6-7-22-15-12-14(2)4-5-16(15)27-13-18(22)24/h4-5,12H,3,6-11,13H2,1-2H3

InChI Key

KLIJXGUPZOIUSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14732077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.213

Distribution Coefficient, logD

1.213

Water Solubility, LogSw

-1.93

Polar Surface Area

63.219

Acid Dissociation Constant (pKa)

20.82

Base Dissociation Constant (pKb)

-0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.60

C205-0067 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 C205-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C205-0067?
Check Price and Availability of C205-0067, 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 C205-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C205-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C205-0067
  • 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 C205-0067 available by request