4076-0129 Screening compound: N'-[(E)-(3-ethoxy-2-hydroxyphenyl)methylidene]-3-methyl-4H-1,4-benzothiazine-2-carbohydrazide

4076-0129 Screening compound: N'-[(E)-(3-ethoxy-2-hydroxyphenyl)methylidene]-3-methyl-4H-1,4-benzothiazine-2-carbohydrazide
4076-0129 Screening compound: N'-[(E)-(3-ethoxy-2-hydroxyphenyl)methylidene]-3-methyl-4H-1,4-benzothiazine-2-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4076-0129
N'-[(E)-(3-ethoxy-2-hydroxyphenyl)methylidene]-3-methyl-4H-1,4-benzothiazine-2-carbohydrazide

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

4076-0129

Molecular Formula

C19H19N3O3S (C19 H19 N3 O3 S)

Compound Name

N'-[(E)-(3-ethoxy-2-hydroxyphenyl)methylidene]-3-methyl-4H-1,4-benzothiazine-2-carbohydrazide

IUPAC name

N'-[(E)-(3-ethoxy-2-hydroxyphenyl)methylidene]-3-methyl-4H-14-benzothiazine-2-carbohydrazide

SMILES

CCOc1cccc(/C=N/NC(C2=C(C)Nc(cccc3)c3S2)=O)c1O

InChI

InChI=1S/C19H19N3O3S/c1-3-25-15-9-6-7-13(17(15)23)11-20-22-19(24)18-12(2)21-14-8-4-5-10-16(14)26-18/h4-11,21,23H,3H2,1-2H3,(H,22,24)

InChI Key

MYOHUQADQQXWJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01916411

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.009

Distribution Coefficient, logD

4.007

Water Solubility, LogSw

-3.98

Polar Surface Area

68.979

Acid Dissociation Constant (pKa)

9.87

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with 4076-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4076-0129?
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What is the minimum amount of 4076-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4076-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4076-0129
  • 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 4076-0129 available by request