E738-0473 Screening compound: 2-amino-4-(4-hydroxy-3,5-dimethoxyphenyl)-6-(3-methoxybenzyl)-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazin-3-yl cyanide

E738-0473 Screening compound: 2-amino-4-(4-hydroxy-3,5-dimethoxyphenyl)-6-(3-methoxybenzyl)-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazin-3-yl cyanide
E738-0473 Screening compound: 2-amino-4-(4-hydroxy-3,5-dimethoxyphenyl)-6-(3-methoxybenzyl)-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 E738-0473
2-amino-4-(4-hydroxy-3,5-dimethoxyphenyl)-6-(3-methoxybenzyl)-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

E738-0473

Molecular Formula

C28H25N3O7S (C28 H25 N3 O7 S)

Compound Name

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

IUPAC name

4-amino-6-(4-hydroxy-35-dimethoxyphenyl)-9-[(3-methoxyphenyl)methyl]-88-dioxo-3-oxa-8lambda6-thia-9-azatricyclo[8.4.0.0^{27}]tetradeca-1(14)2(7)41012-pentaene-5-carbonitrile

SMILES

COc1cccc(CN(c(cccc2)c2C2=C3C(c(cc4OC)cc(OC)c4O)C(C#N)=C(N)O2)S3(=O)=O)c1

InChI

InChI=1S/C28H25N3O7S/c1-35-18-8-6-7-16(11-18)15-31-21-10-5-4-9-19(21)26-27(39(31,33)34)24(20(14-29)28(30)38-26)17-12-22(36-2)25(32)23(13-17)37-3/h4-13,24,32H,15,30H2,1-3H3/t24-/m0/s1

InChI Key

APBRERANXCKLEW-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14914539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.095

Distribution Coefficient, logD

3.094

Water Solubility, LogSw

-3.58

Polar Surface Area

115.857

Acid Dissociation Constant (pKa)

10.07

Base Dissociation Constant (pKb)

0.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.90

References: we are preparing a list of scientific research reports with E738-0473 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E738-0473?
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What is the minimum amount of E738-0473 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E738-0473
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E738-0473
  • 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 E738-0473 available by request