8004-7133 Screening compound: (2E)-2-[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]-2-(4-methoxyphenyl)ethyl 3-butanamidobenzoate

8004-7133 Screening compound: (2E)-2-[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]-2-(4-methoxyphenyl)ethyl 3-butanamidobenzoate
8004-7133 Screening compound: (2E)-2-[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]-2-(4-methoxyphenyl)ethyl 3-butanamidobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-7133
(2E)-2-[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]-2-(4-methoxyphenyl)ethyl 3-butanamidobenzoate

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

8004-7133

Molecular Formula

C26H25N5O8 (C26 H25 N5 O8)

Compound Name

(2E)-2-[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]-2-(4-methoxyphenyl)ethyl 3-butanamidobenzoate

IUPAC name

(2E)-2-[2-(24-dinitrophenyl)hydrazin-1-ylidene]-2-(4-methoxyphenyl)ethyl 3-butanamidobenzoate

SMILES

CCCC(Nc1cccc(C(OC/C(/c(cc2)ccc2OC)=N/Nc(ccc([N+]([O-])=O)c2)c2[N+]([O-])=O)=O)c1)=O

InChI

InChI=1S/C26H25N5O8/c1-3-5-25(32)27-19-7-4-6-18(14-19)26(33)39-16-23(17-8-11-21(38-2)12-9-17)29-28-22-13-10-20(30(34)35)15-24(22)31(36)37/h4,6-15,28H,3,5,16H2,1-2H3,(H,27,32)

InChI Key

RXCSOVJVSOZECY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00746324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.51

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

6.311

Distribution Coefficient, logD

6.308

Water Solubility, LogSw

-5.54

Polar Surface Area

138.290

Acid Dissociation Constant (pKa)

9.52

Base Dissociation Constant (pKb)

0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with 8004-7133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-7133?
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What is the minimum amount of 8004-7133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-7133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-7133
  • 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 8004-7133 available by request