C205-0434 Screening compound: N~1~-[2-(dimethylamino)ethyl]-2-(2-ethyl-6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetamide

C205-0434 Screening compound: N~1~-[2-(dimethylamino)ethyl]-2-(2-ethyl-6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetamide
C205-0434 Screening compound: N~1~-[2-(dimethylamino)ethyl]-2-(2-ethyl-6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C205-0434
N~1~-[2-(dimethylamino)ethyl]-2-(2-ethyl-6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-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

C205-0434

Molecular Formula

C17H25N3O3 (C17 H25 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCC1Oc(ccc(C)c2)c2N(CC(NCCN(C)C)=O)C1=O

InChI

InChI=1S/C17H25N3O3/c1-5-14-17(22)20(11-16(21)18-8-9-19(3)4)13-10-12(2)6-7-15(13)23-14/h6-7,10,14H,5,8-9,11H2,1-4H3,(H,18,21)/t14-/m0/s1

InChI Key

JMEZCDBUIOPASL-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14732150

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.4

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

1.479

Distribution Coefficient, logD

0.144

Water Solubility, LogSw

-2.31

Polar Surface Area

51.717

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

8.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.94

C205-0434 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C205-0434 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C205-0434?
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What is the minimum amount of C205-0434 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C205-0434
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C205-0434
  • 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 C205-0434 available by request