8007-3431 Screening compound: 4-{[(E)-2,2-dibutylhydrazono]methyl}phenyl 3,5-dinitrobenzoate

8007-3431 Screening compound: 4-{[(E)-2,2-dibutylhydrazono]methyl}phenyl 3,5-dinitrobenzoate
8007-3431 Screening compound: 4-{[(E)-2,2-dibutylhydrazono]methyl}phenyl 3,5-dinitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-3431
4-{[(E)-2,2-dibutylhydrazono]methyl}phenyl 3,5-dinitrobenzoate

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

8007-3431

Molecular Formula

C22H26N4O6 (C22 H26 N4 O6)

Compound Name

4-{[(E)-2,2-dibutylhydrazono]methyl}phenyl 3,5-dinitrobenzoate

IUPAC name

4-[(E)-(22-dibutylhydrazin-1-ylidene)methyl]phenyl 35-dinitrobenzoate

SMILES

CCCCN(CCCC)/N=C/c(cc1)ccc1OC(c1cc([N+]([O-])=O)cc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C22H26N4O6/c1-3-5-11-24(12-6-4-2)23-16-17-7-9-21(10-8-17)32-22(27)18-13-19(25(28)29)15-20(14-18)26(30)31/h7-10,13-16H,3-6,11-12H2,1-2H3

InChI Key

OYHHWMRXXIRZLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02645702

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.47

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.057

Distribution Coefficient, logD

5.037

Water Solubility, LogSw

-4.67

Polar Surface Area

100.406

Acid Dissociation Constant (pKa)

24.76

Base Dissociation Constant (pKb)

6.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.36

References: we are preparing a list of scientific research reports with 8007-3431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-3431?
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What is the minimum amount of 8007-3431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-3431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-3431
  • 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 8007-3431 available by request