8004-0720 Screening compound: (E)-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-1-[3-(2,4-dinitrophenoxy)phenyl]methanimine

8004-0720 Screening compound: (E)-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-1-[3-(2,4-dinitrophenoxy)phenyl]methanimine
8004-0720 Screening compound: (E)-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-1-[3-(2,4-dinitrophenoxy)phenyl]methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-0720
(E)-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-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

8004-0720

Molecular Formula

C28H20N4O6 (C28 H20 N4 O6)

Compound Name

(E)-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-1-[3-(2,4-dinitrophenoxy)phenyl]methanimine

IUPAC name

(E)-N-[3-(56-dimethyl-13-benzoxazol-2-yl)phenyl]-1-[3-(24-dinitrophenoxy)phenyl]methanimine

SMILES

Cc(c(C)c1)cc2c1oc(-c1cccc(/N=C/c3cccc(Oc(ccc([N+]([O-])=O)c4)c4[N+]([O-])=O)c3)c1)n2

InChI

InChI=1S/C28H20N4O6/c1-17-11-24-27(12-18(17)2)38-28(30-24)20-6-4-7-21(14-20)29-16-19-5-3-8-23(13-19)37-26-10-9-22(31(33)34)15-25(26)32(35)36/h3-16H,1-2H3

InChI Key

VRBZGDOCSPTMOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00313710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.49

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

6.649

Distribution Coefficient, logD

6.649

Water Solubility, LogSw

-5.94

Polar Surface Area

98.473

Acid Dissociation Constant (pKa)

26.75

Base Dissociation Constant (pKb)

3.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

8004-0720 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8004-0720 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-0720?
Check Price and Availability of 8004-0720, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8004-0720 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-0720
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-0720
  • 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 8004-0720 available by request