E738-0140 Screening compound: 2-amino-6-ethyl-4-(3-methylphenyl)-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazin-3-yl cyanide

E738-0140 Screening compound: 2-amino-6-ethyl-4-(3-methylphenyl)-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazin-3-yl cyanide
E738-0140 Screening compound: 2-amino-6-ethyl-4-(3-methylphenyl)-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 E738-0140
2-amino-6-ethyl-4-(3-methylphenyl)-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

E738-0140

Molecular Formula

C21H19N3O3S (C21 H19 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(c(cccc1)c1C1=C2C(c3cc(C)ccc3)C(C#N)=C(N)O1)S2(=O)=O

InChI

InChI=1S/C21H19N3O3S/c1-3-24-17-10-5-4-9-15(17)19-20(28(24,25)26)18(16(12-22)21(23)27-19)14-8-6-7-13(2)11-14/h4-11,18H,3,23H2,1-2H3/t18-/m0/s1

InChI Key

QHZWRKONAAKFHI-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14914421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.257

Distribution Coefficient, logD

3.257

Water Solubility, LogSw

-3.78

Polar Surface Area

77.569

Acid Dissociation Constant (pKa)

15.06

Base Dissociation Constant (pKb)

0.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.05

E738-0140 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Immune system

References: we are preparing a list of scientific research reports with E738-0140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E738-0140?
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What is the minimum amount of E738-0140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E738-0140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E738-0140
  • 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 E738-0140 available by request