E772-0228 Screening compound: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-({2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}methyl)benzamide

E772-0228 Screening compound: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-({2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}methyl)benzamide
E772-0228 Screening compound: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-({2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E772-0228
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-({2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}methyl)benzamide

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

E772-0228

Molecular Formula

C25H23N3O4S (C25 H23 N3 O4 S)

Compound Name

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-({2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}methyl)benzamide

IUPAC name

N-[1-(23-dihydro-14-benzodioxin-6-yl)ethyl]-4-({2-oxo-1H2H3H-pyrido[23-b][14]thiazin-1-yl}methyl)benzamide

SMILES

CC(c(cc1)cc2c1OCCO2)NC(c1ccc(CN2c3cccnc3SCC2=O)cc1)=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.525

Distribution Coefficient, logD

2.525

Water Solubility, LogSw

-2.86

Polar Surface Area

66.071

Acid Dissociation Constant (pKa)

13.08

Base Dissociation Constant (pKb)

3.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

E772-0228 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E772-0228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E772-0228?
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What is the minimum amount of E772-0228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E772-0228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E772-0228
  • 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 E772-0228 available by request