1318-0200 Screening compound: N'-[(E)-(3-ethoxy-2-hydroxy-5-iodophenyl)methylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide

1318-0200 Screening compound: N'-[(E)-(3-ethoxy-2-hydroxy-5-iodophenyl)methylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide
1318-0200 Screening compound: N'-[(E)-(3-ethoxy-2-hydroxy-5-iodophenyl)methylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1318-0200
N'-[(E)-(3-ethoxy-2-hydroxy-5-iodophenyl)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

1318-0200

Molecular Formula

C18H17IN2O5 (C18 H17 IN2 O5)

Compound Name

N'-[(E)-(3-ethoxy-2-hydroxy-5-iodophenyl)methylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide

IUPAC name

N'-[(E)-(3-ethoxy-2-hydroxy-5-iodophenyl)methylidene]-23-dihydro-14-benzodioxine-2-carbohydrazide

SMILES

CCOc(cc(cc1/C=N/NC(C2Oc(cccc3)c3OC2)=O)I)c1O

InChI

InChI=1S/C18H17IN2O5/c1-2-24-15-8-12(19)7-11(17(15)22)9-20-21-18(23)16-10-25-13-5-3-4-6-14(13)26-16/h3-9,16,22H,2,10H2,1H3,(H,21,23)/t16-/m0/s1

InChI Key

UESRUJVFSVRGGJ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD00578930

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.25

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.490

Distribution Coefficient, logD

4.486

Water Solubility, LogSw

-4.15

Polar Surface Area

73.681

Acid Dissociation Constant (pKa)

9.51

Base Dissociation Constant (pKb)

3.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 1318-0200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1318-0200?
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What is the minimum amount of 1318-0200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1318-0200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1318-0200
  • 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 1318-0200 available by request