8004-4213 Screening compound: 2-[(E)-{[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]imino}methyl]-6-nitrophenol

8004-4213 Screening compound: 2-[(E)-{[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]imino}methyl]-6-nitrophenol
8004-4213 Screening compound: 2-[(E)-{[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]imino}methyl]-6-nitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-4213
2-[(E)-{[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]imino}methyl]-6-nitrophenol

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

8004-4213

Molecular Formula

C20H12ClN3O4 (C20 H12 ClN3 O4)

Compound Name

2-[(E)-{[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]imino}methyl]-6-nitrophenol

IUPAC name

2-[(E)-{[2-(4-chlorophenyl)-13-benzoxazol-6-yl]imino}methyl]-6-nitrophenol

SMILES

[O-][N+](c1cccc(/C=N/c(cc2)cc3c2nc(-c(cc2)ccc2Cl)o3)c1O)=O

InChI

InChI=1S/C20H12ClN3O4/c21-14-6-4-12(5-7-14)20-23-16-9-8-15(10-18(16)28-20)22-11-13-2-1-3-17(19(13)25)24(26)27/h1-11,25H

InChI Key

HCWGEERFQMJSMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00788031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.79

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.399

Distribution Coefficient, logD

3.519

Water Solubility, LogSw

-5.86

Polar Surface Area

73.736

Acid Dissociation Constant (pKa)

5.53

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 8004-4213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-4213?
Check Price and Availability of 8004-4213, 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 8004-4213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-4213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-4213
  • 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 8004-4213 available by request