G278-0228 Screening compound: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-thiophenecarboxamide

G278-0228 Screening compound: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-thiophenecarboxamide
G278-0228 Screening compound: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G278-0228
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-thiophenecarboxamide

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

G278-0228

Molecular Formula

C23H22N2O4S (C23 H22 N2 O4 S)

Compound Name

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-thiophenecarboxamide

IUPAC name

N-[1-(23-dihydro-14-benzodioxin-6-yl)ethyl]-5-(34-dihydro-2H-14-benzoxazin-4-yl)thiophene-2-carboxamide

SMILES

CC(c(cc1)cc2c1OCCO2)NC(c1ccc(N2c(cccc3)c3OCC2)s1)=O

InChI

InChI=1S/C23H22N2O4S/c1-15(16-6-7-19-20(14-16)29-13-12-28-19)24-23(26)21-8-9-22(30-21)25-10-11-27-18-5-3-2-4-17(18)25/h2-9,14-15H,10-13H2,1H3,(H,24,26)/t15-/m0/s1

InChI Key

VNZRSLYSBMKTGB-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14993233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.024

Distribution Coefficient, logD

4.024

Water Solubility, LogSw

-4.02

Polar Surface Area

51.076

Acid Dissociation Constant (pKa)

14.77

Base Dissociation Constant (pKb)

6.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.09

G278-0228 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G278-0228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G278-0228?
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What is the minimum amount of G278-0228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G278-0228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G278-0228
  • 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 G278-0228 available by request