2729-0378 Screening compound: 3-hydroxy-N'-[(E)-(2-hydroxy-5-methoxyphenyl)methylidene]-1-benzothiophene-2-carbohydrazide

2729-0378 Screening compound: 3-hydroxy-N'-[(E)-(2-hydroxy-5-methoxyphenyl)methylidene]-1-benzothiophene-2-carbohydrazide
2729-0378 Screening compound: 3-hydroxy-N'-[(E)-(2-hydroxy-5-methoxyphenyl)methylidene]-1-benzothiophene-2-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2729-0378
3-hydroxy-N'-[(E)-(2-hydroxy-5-methoxyphenyl)methylidene]-1-benzothiophene-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

2729-0378

Molecular Formula

C17H14N2O4S (C17 H14 N2 O4 S)

Compound Name

3-hydroxy-N'-[(E)-(2-hydroxy-5-methoxyphenyl)methylidene]-1-benzothiophene-2-carbohydrazide

IUPAC name

3-hydroxy-N'-[(E)-(2-hydroxy-5-methoxyphenyl)methylidene]-1-benzothiophene-2-carbohydrazide

SMILES

COc(cc1)cc(/C=N/NC(c(sc2c3cccc2)c3O)=O)c1O

InChI

InChI=1S/C17H14N2O4S/c1-23-11-6-7-13(20)10(8-11)9-18-19-17(22)16-15(21)12-4-2-3-5-14(12)24-16/h2-9,20-21H,1H3,(H,19,22)

InChI Key

ZVEAJCIFHXSQLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01959932

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.979

Distribution Coefficient, logD

3.966

Water Solubility, LogSw

-3.81

Polar Surface Area

75.872

Acid Dissociation Constant (pKa)

8.91

Base Dissociation Constant (pKb)

2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

2729-0378 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 2729-0378 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2729-0378?
Check Price and Availability of 2729-0378, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2729-0378 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2729-0378
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2729-0378
  • 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 2729-0378 available by request