E745-0141 Screening compound: 1-(4-chlorobenzyl)-3-[(E)-1-(3,5-dimethoxyanilino)methylidene]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione

E745-0141 Screening compound: 1-(4-chlorobenzyl)-3-[(E)-1-(3,5-dimethoxyanilino)methylidene]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
E745-0141 Screening compound: 1-(4-chlorobenzyl)-3-[(E)-1-(3,5-dimethoxyanilino)methylidene]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound E745-0141
1-(4-chlorobenzyl)-3-[(E)-1-(3,5-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

E745-0141

Molecular Formula

C24H21ClN2O5S (C24 H21 ClN2 O5 S)

Compound Name

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

IUPAC name

(3E)-1-[(4-chlorophenyl)methyl]-3-{[(35-dimethoxyphenyl)amino]methylidene}-34-dihydro-1H-2lambda61-benzothiazine-224-trione

SMILES

COc1cc(N/C=C(\C(c(cccc2)c2N2Cc(cc3)ccc3Cl)=O)/S2(=O)=O)cc(OC)c1

InChI

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

InChI Key

OTOFFANHJATSQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14914768

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

4.611

Distribution Coefficient, logD

4.610

Water Solubility, LogSw

-4.80

Polar Surface Area

70.597

Acid Dissociation Constant (pKa)

9.86

Base Dissociation Constant (pKb)

2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with E745-0141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E745-0141?
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What is the minimum amount of E745-0141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E745-0141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E745-0141
  • 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 E745-0141 available by request