8002-9017 Screening compound: N'-[(E)-(3-nitrophenyl)methylidene]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetohydrazide

8002-9017 Screening compound: N'-[(E)-(3-nitrophenyl)methylidene]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetohydrazide
8002-9017 Screening compound: N'-[(E)-(3-nitrophenyl)methylidene]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-9017
N'-[(E)-(3-nitrophenyl)methylidene]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]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

8002-9017

Molecular Formula

C23H29N3O4 (C23 H29 N3 O4)

Compound Name

N'-[(E)-(3-nitrophenyl)methylidene]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetohydrazide

IUPAC name

N'-[(E)-(3-nitrophenyl)methylidene]-2-[4-(244-trimethylpentan-2-yl)phenoxy]acetohydrazide

SMILES

CC(C)(C)CC(C)(C)c(cc1)ccc1OCC(N/N=C/c1cccc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C23H29N3O4/c1-22(2,3)16-23(4,5)18-9-11-20(12-10-18)30-15-21(27)25-24-14-17-7-6-8-19(13-17)26(28)29/h6-14H,15-16H2,1-5H3,(H,25,27)

InChI Key

QZOLPLMJAYSBOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00342100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.913

Distribution Coefficient, logD

5.913

Water Solubility, LogSw

-5.56

Polar Surface Area

76.221

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

2.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with 8002-9017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-9017?
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What is the minimum amount of 8002-9017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-9017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-9017
  • 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 8002-9017 available by request