8006-9305 Screening compound: N-({N'-[(2E,3E)-4-(2H-1,3-benzodioxol-5-yl)but-3-en-2-ylidene]hydrazinecarbonyl}methyl)-3,4,5-trimethoxybenzamide

8006-9305 Screening compound: N-({N'-[(2E,3E)-4-(2H-1,3-benzodioxol-5-yl)but-3-en-2-ylidene]hydrazinecarbonyl}methyl)-3,4,5-trimethoxybenzamide
8006-9305 Screening compound: N-({N'-[(2E,3E)-4-(2H-1,3-benzodioxol-5-yl)but-3-en-2-ylidene]hydrazinecarbonyl}methyl)-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-9305
N-({N'-[(2E,3E)-4-(2H-1,3-benzodioxol-5-yl)but-3-en-2-ylidene]hydrazinecarbonyl}methyl)-3,4,5-trimethoxybenzamide

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

8006-9305

Molecular Formula

C23H25N3O7 (C23 H25 N3 O7)

Compound Name

N-({N'-[(2E,3E)-4-(2H-1,3-benzodioxol-5-yl)but-3-en-2-ylidene]hydrazinecarbonyl}methyl)-3,4,5-trimethoxybenzamide

IUPAC name

N-({N'-[(2E3E)-4-(2H-13-benzodioxol-5-yl)but-3-en-2-ylidene]hydrazinecarbonyl}methyl)-345-trimethoxybenzamide

SMILES

C/C(/C=C/c(cc1)cc2c1OCO2)=N\NC(CNC(c(cc1OC)cc(OC)c1OC)=O)=O

InChI

InChI=1S/C23H25N3O7/c1-14(5-6-15-7-8-17-18(9-15)33-13-32-17)25-26-21(27)12-24-23(28)16-10-19(29-2)22(31-4)20(11-16)30-3/h5-11H,12-13H2,1-4H3,(H,24,28)(H,26,27)

InChI Key

RJBONOZDMIECIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00827400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.218

Distribution Coefficient, logD

3.218

Water Solubility, LogSw

-3.40

Polar Surface Area

99.488

Acid Dissociation Constant (pKa)

10.59

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

8006-9305 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 8006-9305 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-9305?
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What is the minimum amount of 8006-9305 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-9305
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-9305
  • 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 8006-9305 available by request