C795-1155 Screening compound: N-(2-ethylphenyl)-4-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)butanamide

C795-1155 Screening compound: N-(2-ethylphenyl)-4-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)butanamide
C795-1155 Screening compound: N-(2-ethylphenyl)-4-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-1155
N-(2-ethylphenyl)-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

C795-1155

Molecular Formula

C21H24N2O3 (C21 H24 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CCc(cccc1)c1NC(CCCN1c(cc(C)cc2)c2OCC1=O)=O

InChI

InChI=1S/C21H24N2O3/c1-3-16-7-4-5-8-17(16)22-20(24)9-6-12-23-18-13-15(2)10-11-19(18)26-14-21(23)25/h4-5,7-8,10-11,13H,3,6,9,12,14H2,1-2H3,(H,22,24)

InChI Key

SODLZXOTMJXZMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797237

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

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.775

Distribution Coefficient, logD

2.775

Water Solubility, LogSw

-3.19

Polar Surface Area

46.498

Acid Dissociation Constant (pKa)

12.73

Base Dissociation Constant (pKb)

1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C795-1155 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

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 C795-1155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-1155?
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What is the minimum amount of C795-1155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-1155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-1155
  • 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 C795-1155 available by request