8005-6901 Screening compound: (E)-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-1-[3-(2,4-dinitrophenoxy)phenyl]methanimine

8005-6901 Screening compound: (E)-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-1-[3-(2,4-dinitrophenoxy)phenyl]methanimine
8005-6901 Screening compound: (E)-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-1-[3-(2,4-dinitrophenoxy)phenyl]methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-6901
(E)-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-1-[3-(2,4-dinitrophenoxy)phenyl]methanimine

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

8005-6901

Molecular Formula

C26H14Cl2N4O6 (C26 H14 Cl2 N4 O6)

Compound Name

(E)-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-1-[3-(2,4-dinitrophenoxy)phenyl]methanimine

IUPAC name

(E)-N-[2-(24-dichlorophenyl)-13-benzoxazol-5-yl]-1-[3-(24-dinitrophenoxy)phenyl]methanimine

SMILES

[O-][N+](c(cc1)cc([N+]([O-])=O)c1Oc1cccc(/C=N/c(cc2)cc3c2oc(-c(ccc(Cl)c2)c2Cl)n3)c1)=O

InChI

InChI=1S/C26H14Cl2N4O6/c27-16-4-7-20(21(28)11-16)26-30-22-12-17(5-8-24(22)38-26)29-14-15-2-1-3-19(10-15)37-25-9-6-18(31(33)34)13-23(25)32(35)36/h1-14H

InChI Key

XGKBKXUGLNDIHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00821521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

549.33

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.939

Distribution Coefficient, logD

6.939

Water Solubility, LogSw

-6.99

Polar Surface Area

98.473

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 8005-6901 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-6901?
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What is the minimum amount of 8005-6901 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-6901
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-6901
  • 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 8005-6901 available by request