8004-4586 Screening compound: N-{(E)-1-[4-(2,4-dinitrophenoxy)-3-ethoxyphenyl]methylidene}-N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]amine

8004-4586 Screening compound: N-{(E)-1-[4-(2,4-dinitrophenoxy)-3-ethoxyphenyl]methylidene}-N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]amine
8004-4586 Screening compound: N-{(E)-1-[4-(2,4-dinitrophenoxy)-3-ethoxyphenyl]methylidene}-N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-4586
N-{(E)-1-[4-(2,4-dinitrophenoxy)-3-ethoxyphenyl]methylidene}-N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]amine

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

8004-4586

Molecular Formula

C29H22N4O6S (C29 H22 N4 O6 S)

Compound Name

N-{(E)-1-[4-(2,4-dinitrophenoxy)-3-ethoxyphenyl]methylidene}-N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]amine

IUPAC name

(E)-1-[4-(24-dinitrophenoxy)-3-ethoxyphenyl]-N-[4-(5-methyl-13-benzothiazol-2-yl)phenyl]methanimine

SMILES

CCOc(cc(/C=N/c(cc1)ccc1-c1nc(cc(C)cc2)c2s1)cc1)c1Oc(ccc([N+]([O-])=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C29H22N4O6S/c1-3-38-27-15-19(5-11-26(27)39-25-12-10-22(32(34)35)16-24(25)33(36)37)17-30-21-8-6-20(7-9-21)29-31-23-14-18(2)4-13-28(23)40-29/h4-17H,3H2,1-2H3

InChI Key

MSXRXKNFMSYKSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00739123

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

554.58

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

7.013

Distribution Coefficient, logD

7.006

Water Solubility, LogSw

-5.74

Polar Surface Area

98.408

Acid Dissociation Constant (pKa)

27.59

Base Dissociation Constant (pKb)

5.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.34

References: we are preparing a list of scientific research reports with 8004-4586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-4586?
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What is the minimum amount of 8004-4586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-4586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-4586
  • 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 8004-4586 available by request