8003-8331 Screening compound: 2-(4-bromophenoxy)-N'~1~-[(E)-1-(4,5-dimethoxy-2-nitrophenyl)methylidene]acetohydrazide

8003-8331 Screening compound: 2-(4-bromophenoxy)-N'~1~-[(E)-1-(4,5-dimethoxy-2-nitrophenyl)methylidene]acetohydrazide
8003-8331 Screening compound: 2-(4-bromophenoxy)-N'~1~-[(E)-1-(4,5-dimethoxy-2-nitrophenyl)methylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-8331
2-(4-bromophenoxy)-N'~1~-[(E)-1-(4,5-dimethoxy-2-nitrophenyl)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

8003-8331

Molecular Formula

C17H16BrN3O6 (C17 H16 BrN3 O6)

Compound Name

2-(4-bromophenoxy)-N'~1~-[(E)-1-(4,5-dimethoxy-2-nitrophenyl)methylidene]acetohydrazide

IUPAC name

2-(4-bromophenoxy)-N'-[(E)-(45-dimethoxy-2-nitrophenyl)methylidene]acetohydrazide

SMILES

COc(c(OC)c1)cc(/C=N/NC(COc(cc2)ccc2Br)=O)c1[N+]([O-])=O

InChI

InChI=1S/C17H16BrN3O6/c1-25-15-7-11(14(21(23)24)8-16(15)26-2)9-19-20-17(22)10-27-13-5-3-12(18)4-6-13/h3-9H,10H2,1-2H3,(H,20,22)

InChI Key

ASYXPFRRKLXCKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00744958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.23

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.289

Distribution Coefficient, logD

3.287

Water Solubility, LogSw

-3.69

Polar Surface Area

91.181

Acid Dissociation Constant (pKa)

9.73

Base Dissociation Constant (pKb)

2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

References: we are preparing a list of scientific research reports with 8003-8331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-8331?
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What is the minimum amount of 8003-8331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-8331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-8331
  • 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 8003-8331 available by request