E738-0266 Screening compound: 2-amino-4-(3,4-dimethoxyphenyl)-6-(4-methylbenzyl)-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazin-3-yl cyanide

E738-0266 Screening compound: 2-amino-4-(3,4-dimethoxyphenyl)-6-(4-methylbenzyl)-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazin-3-yl cyanide
E738-0266 Screening compound: 2-amino-4-(3,4-dimethoxyphenyl)-6-(4-methylbenzyl)-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazin-3-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound E738-0266
2-amino-4-(3,4-dimethoxyphenyl)-6-(4-methylbenzyl)-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazin-3-yl cyanide

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

E738-0266

Molecular Formula

C28H25N3O5S (C28 H25 N3 O5 S)

Compound Name

2-amino-4-(3,4-dimethoxyphenyl)-6-(4-methylbenzyl)-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazin-3-yl cyanide

IUPAC name

4-amino-6-(34-dimethoxyphenyl)-9-[(4-methylphenyl)methyl]-88-dioxo-3-oxa-8lambda6-thia-9-azatricyclo[8.4.0.0^{27}]tetradeca-1(14)2(7)41012-pentaene-5-carbonitrile

SMILES

Cc1ccc(CN(c(cccc2)c2C2=C3C(c(cc4)cc(OC)c4OC)C(C#N)=C(N)O2)S3(=O)=O)cc1

InChI

InChI=1S/C28H25N3O5S/c1-17-8-10-18(11-9-17)16-31-22-7-5-4-6-20(22)26-27(37(31,32)33)25(21(15-29)28(30)36-26)19-12-13-23(34-2)24(14-19)35-3/h4-14,25H,16,30H2,1-3H3/t25-/m0/s1

InChI Key

CUXAKISFGFQXNB-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14914476

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.015

Distribution Coefficient, logD

4.015

Water Solubility, LogSw

-4.41

Polar Surface Area

92.834

Acid Dissociation Constant (pKa)

15.06

Base Dissociation Constant (pKb)

0.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.90

E738-0266 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E738-0266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E738-0266?
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What is the minimum amount of E738-0266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E738-0266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E738-0266
  • 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 E738-0266 available by request