E738-0086 Screening compound: 2-amino-4-(2-chlorophenyl)-6-methyl-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazin-3-yl cyanide

E738-0086 Screening compound: 2-amino-4-(2-chlorophenyl)-6-methyl-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazin-3-yl cyanide
E738-0086 Screening compound: 2-amino-4-(2-chlorophenyl)-6-methyl-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 E738-0086
2-amino-4-(2-chlorophenyl)-6-methyl-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

E738-0086

Molecular Formula

C19H14ClN3O3S (C19 H14 ClN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CN(c(cccc1)c1C1=C2C(c(cccc3)c3Cl)C(C#N)=C(N)O1)S2(=O)=O

InChI

InChI=1S/C19H14ClN3O3S/c1-23-15-9-5-3-7-12(15)17-18(27(23,24)25)16(13(10-21)19(22)26-17)11-6-2-4-8-14(11)20/h2-9,16H,22H2,1H3/t16-/m0/s1

InChI Key

LIUJINGOLYIELE-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14914400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.289

Distribution Coefficient, logD

3.289

Water Solubility, LogSw

-3.99

Polar Surface Area

78.850

Acid Dissociation Constant (pKa)

15.22

Base Dissociation Constant (pKb)

0.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with E738-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E738-0086?
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What is the minimum amount of E738-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E738-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E738-0086
  • 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 E738-0086 available by request