C798-0236 Screening compound: 4-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[2-(morpholin-4-yl)ethyl]butanamide

C798-0236 Screening compound: 4-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[2-(morpholin-4-yl)ethyl]butanamide
C798-0236 Screening compound: 4-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[2-(morpholin-4-yl)ethyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-0236
4-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[2-(morpholin-4-yl)ethyl]butanamide

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

C798-0236

Molecular Formula

C19H27N3O4 (C19 H27 N3 O4)

Compound Name

4-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[2-(morpholin-4-yl)ethyl]butanamide

IUPAC name

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

SMILES

Cc(cc1)cc(N2CCCC(NCCN3CCOCC3)=O)c1OCC2=O

InChI

InChI=1S/C19H27N3O4/c1-15-4-5-17-16(13-15)22(19(24)14-26-17)7-2-3-18(23)20-6-8-21-9-11-25-12-10-21/h4-5,13H,2-3,6-12,14H2,1H3,(H,20,23)

InChI Key

HRBODCPFJOITHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14429256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.110

Distribution Coefficient, logD

-0.186

Water Solubility, LogSw

-1.88

Polar Surface Area

60.251

Acid Dissociation Constant (pKa)

13.80

Base Dissociation Constant (pKb)

6.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

C798-0236 in Drug Discovery

Included in Screening Libraries

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

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

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with C798-0236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-0236?
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What is the minimum amount of C798-0236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-0236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-0236
  • 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 C798-0236 available by request