2729-0389 Screening compound: N'-[(E)-(3-chloro-1-benzothiophen-2-yl)methylidene]-6-methoxynaphthalene-2-carbohydrazide

2729-0389 Screening compound: N'-[(E)-(3-chloro-1-benzothiophen-2-yl)methylidene]-6-methoxynaphthalene-2-carbohydrazide
2729-0389 Screening compound: N'-[(E)-(3-chloro-1-benzothiophen-2-yl)methylidene]-6-methoxynaphthalene-2-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2729-0389
N'-[(E)-(3-chloro-1-benzothiophen-2-yl)methylidene]-6-methoxynaphthalene-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

2729-0389

Molecular Formula

C21H15ClN2O2S (C21 H15 ClN2 O2 S)

Compound Name

N'-[(E)-(3-chloro-1-benzothiophen-2-yl)methylidene]-6-methoxynaphthalene-2-carbohydrazide

IUPAC name

N'-[(E)-(3-chloro-1-benzothiophen-2-yl)methylidene]-6-methoxynaphthalene-2-carbohydrazide

SMILES

COc1ccc(cc(cc2)C(N/N=C/c(sc3c4cccc3)c4Cl)=O)c2c1

InChI

InChI=1S/C21H15ClN2O2S/c1-26-16-9-8-13-10-15(7-6-14(13)11-16)21(25)24-23-12-19-20(22)17-4-2-3-5-18(17)27-19/h2-12H,1H3,(H,24,25)

InChI Key

HRGICCYHXAULNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01948282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.88

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.235

Distribution Coefficient, logD

6.209

Water Solubility, LogSw

-6.51

Polar Surface Area

43.573

Acid Dissociation Constant (pKa)

8.61

Base Dissociation Constant (pKb)

0.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

2729-0389 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2729-0389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2729-0389?
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What is the minimum amount of 2729-0389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2729-0389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2729-0389
  • 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 2729-0389 available by request