E745-0091 Screening compound: 1-benzyl-3-[(E)-1-(5-chloro-2,4-dimethoxyanilino)methylidene]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione

E745-0091 Screening compound: 1-benzyl-3-[(E)-1-(5-chloro-2,4-dimethoxyanilino)methylidene]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
E745-0091 Screening compound: 1-benzyl-3-[(E)-1-(5-chloro-2,4-dimethoxyanilino)methylidene]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound E745-0091
1-benzyl-3-[(E)-1-(5-chloro-2,4-dimethoxyanilino)methylidene]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione

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

E745-0091

Molecular Formula

C24H21ClN2O5S (C24 H21 ClN2 O5 S)

Compound Name

1-benzyl-3-[(E)-1-(5-chloro-2,4-dimethoxyanilino)methylidene]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione

IUPAC name

(3E)-1-benzyl-3-{[(5-chloro-24-dimethoxyphenyl)amino]methylidene}-34-dihydro-1H-2lambda61-benzothiazine-224-trione

SMILES

COc(c(N/C=C(\C(c(cccc1)c1N1Cc2ccccc2)=O)/S1(=O)=O)c1)cc(OC)c1Cl

InChI

InChI=1S/C24H21ClN2O5S/c1-31-21-13-22(32-2)19(12-18(21)25)26-14-23-24(28)17-10-6-7-11-20(17)27(33(23,29)30)15-16-8-4-3-5-9-16/h3-14,26H,15H2,1-2H3

InChI Key

YLFDNOAUVKTQTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14914734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.96

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.531

Distribution Coefficient, logD

4.464

Water Solubility, LogSw

-4.69

Polar Surface Area

70.072

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

2.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with E745-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E745-0091?
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What is the minimum amount of E745-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E745-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E745-0091
  • 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 E745-0091 available by request