1318-0158 Screening compound: N'-[(E)-(4-chlorophenyl)methylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide

1318-0158 Screening compound: N'-[(E)-(4-chlorophenyl)methylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide
1318-0158 Screening compound: N'-[(E)-(4-chlorophenyl)methylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1318-0158
N'-[(E)-(4-chlorophenyl)methylidene]-2,3-dihydro-1,4-benzodioxine-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

1318-0158

Molecular Formula

C16H13ClN2O3 (C16 H13 ClN2 O3)

Compound Name

N'-[(E)-(4-chlorophenyl)methylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide

IUPAC name

N'-[(E)-(4-chlorophenyl)methylidene]-23-dihydro-14-benzodioxine-2-carbohydrazide

SMILES

O=C(C1Oc(cccc2)c2OC1)N/N=C/c(cc1)ccc1Cl

InChI

InChI=1S/C16H13ClN2O3/c17-12-7-5-11(6-8-12)9-18-19-16(20)15-10-21-13-3-1-2-4-14(13)22-15/h1-9,15H,10H2,(H,19,20)/t15-/m0/s1

InChI Key

GUDXSTZMTSGWLD-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD00479537

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.74

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.571

Distribution Coefficient, logD

3.569

Water Solubility, LogSw

-4.09

Polar Surface Area

50.991

Acid Dissociation Constant (pKa)

9.77

Base Dissociation Constant (pKb)

1.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

1318-0158 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1318-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1318-0158?
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What is the minimum amount of 1318-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1318-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1318-0158
  • 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 1318-0158 available by request