1318-0178 Screening compound: N'-[(2E,3E)-4-(furan-2-yl)but-3-en-2-ylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide

1318-0178 Screening compound: N'-[(2E,3E)-4-(furan-2-yl)but-3-en-2-ylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide
1318-0178 Screening compound: N'-[(2E,3E)-4-(furan-2-yl)but-3-en-2-ylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1318-0178
N'-[(2E,3E)-4-(furan-2-yl)but-3-en-2-ylidene]-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

1318-0178

Molecular Formula

C17H16N2O4 (C17 H16 N2 O4)

Compound Name

N'-[(2E,3E)-4-(furan-2-yl)but-3-en-2-ylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide

IUPAC name

N'-[(2E3E)-4-(furan-2-yl)but-3-en-2-ylidene]-23-dihydro-14-benzodioxine-2-carbohydrazide

SMILES

C/C(/C=C/c1ccco1)=N\NC(C1Oc(cccc2)c2OC1)=O

InChI

InChI=1S/C17H16N2O4/c1-12(8-9-13-5-4-10-21-13)18-19-17(20)16-11-22-14-6-2-3-7-15(14)23-16/h2-10,16H,11H2,1H3,(H,19,20)/t16-/m0/s1

InChI Key

IUJWBXOCIVRDJU-INIZCTEOSA-N

MDL Number (MFCD)

MFCD00399944

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.913

Distribution Coefficient, logD

2.909

Water Solubility, LogSw

-3.22

Polar Surface Area

58.109

Acid Dissociation Constant (pKa)

9.40

Base Dissociation Constant (pKb)

1.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

1318-0178 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1318-0178 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1318-0178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1318-0178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1318-0178
  • 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 1318-0178 available by request