C798-0334 Screening compound: N-(2,4-dimethylphenyl)-4-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)butanamide

C798-0334 Screening compound: N-(2,4-dimethylphenyl)-4-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)butanamide
C798-0334 Screening compound: N-(2,4-dimethylphenyl)-4-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-0334
N-(2,4-dimethylphenyl)-4-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)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

C798-0334

Molecular Formula

C21H24N2O3 (C21 H24 N2 O3)

Compound Name

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

IUPAC name

N-(24-dimethylphenyl)-4-(6-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl)butanamide

SMILES

Cc(cc1)cc(C)c1NC(CCCN1c(cc(C)cc2)c2OCC1=O)=O

InChI

InChI=1S/C21H24N2O3/c1-14-6-8-17(16(3)11-14)22-20(24)5-4-10-23-18-12-15(2)7-9-19(18)26-13-21(23)25/h6-9,11-12H,4-5,10,13H2,1-3H3,(H,22,24)

InChI Key

VAABIFSMNOWNRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.758

Distribution Coefficient, logD

2.758

Water Solubility, LogSw

-3.04

Polar Surface Area

46.498

Acid Dissociation Constant (pKa)

12.16

Base Dissociation Constant (pKb)

2.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C798-0334 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C798-0334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-0334?
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What is the minimum amount of C798-0334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-0334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-0334
  • 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 C798-0334 available by request