8004-0751 Screening compound: 2-[(4-methylphenyl)amino]-N'-[(E)-(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]acetohydrazide

8004-0751 Screening compound: 2-[(4-methylphenyl)amino]-N'-[(E)-(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]acetohydrazide
8004-0751 Screening compound: 2-[(4-methylphenyl)amino]-N'-[(E)-(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-0751
2-[(4-methylphenyl)amino]-N'-[(E)-(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]acetohydrazide

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

8004-0751

Molecular Formula

C17H16N4O5 (C17 H16 N4 O5)

Compound Name

2-[(4-methylphenyl)amino]-N'-[(E)-(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]acetohydrazide

IUPAC name

2-[(4-methylphenyl)amino]-N'-[(E)-(6-nitro-2H-13-benzodioxol-5-yl)methylidene]acetohydrazide

SMILES

Cc(cc1)ccc1NCC(N/N=C/c(cc1OCOc1c1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C17H16N4O5/c1-11-2-4-13(5-3-11)18-9-17(22)20-19-8-12-6-15-16(26-10-25-15)7-14(12)21(23)24/h2-8,18H,9-10H2,1H3,(H,20,22)

InChI Key

ZHAAJZAKGUTABG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00363917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.428

Distribution Coefficient, logD

3.427

Water Solubility, LogSw

-3.72

Polar Surface Area

96.043

Acid Dissociation Constant (pKa)

9.80

Base Dissociation Constant (pKb)

3.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with 8004-0751 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-0751?
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What is the minimum amount of 8004-0751 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-0751
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-0751
  • 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 8004-0751 available by request