C205-0031 Screening compound: 2-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-(propan-2-yl)acetamide

C205-0031 Screening compound: 2-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-(propan-2-yl)acetamide
C205-0031 Screening compound: 2-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-(propan-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C205-0031
2-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-(propan-2-yl)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

C205-0031

Molecular Formula

C14H18N2O3 (C14 H18 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)NC(CN1c(cc(C)cc2)c2OCC1=O)=O

InChI

InChI=1S/C14H18N2O3/c1-9(2)15-13(17)7-16-11-6-10(3)4-5-12(11)19-8-14(16)18/h4-6,9H,7-8H2,1-3H3,(H,15,17)

InChI Key

LKMRQMJEQLPGQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04206003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.281

Distribution Coefficient, logD

1.281

Water Solubility, LogSw

-2.26

Polar Surface Area

47.785

Acid Dissociation Constant (pKa)

15.33

Base Dissociation Constant (pKb)

1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

C205-0031 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Fragments Library (11262 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with C205-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C205-0031?
Check Price and Availability of C205-0031, 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 C205-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C205-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C205-0031
  • 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 C205-0031 available by request