0808-0046 Screening compound: 2-[(E)-{[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]imino}methyl]-4,6-diiodophenol

0808-0046 Screening compound: 2-[(E)-{[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]imino}methyl]-4,6-diiodophenol
0808-0046 Screening compound: 2-[(E)-{[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]imino}methyl]-4,6-diiodophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0808-0046
2-[(E)-{[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]imino}methyl]-4,6-diiodophenol

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

0808-0046

Molecular Formula

C22H16I2N2O3 (C22 H16 I2 N2 O3)

Compound Name

2-[(E)-{[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]imino}methyl]-4,6-diiodophenol

IUPAC name

2-[(E)-{[2-(4-ethoxyphenyl)-13-benzoxazol-5-yl]imino}methyl]-46-diiodophenol

SMILES

CCOc(cc1)ccc1-c1nc(cc(cc2)/N=C/c3cc(I)cc(I)c3O)c2o1

InChI

InChI=1S/C22H16I2N2O3/c1-2-28-17-6-3-13(4-7-17)22-26-19-11-16(5-8-20(19)29-22)25-12-14-9-15(23)10-18(24)21(14)27/h3-12,27H,2H2,1H3

InChI Key

VDTQUCMIVWAZTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00640064

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

610.19

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.180

Distribution Coefficient, logD

6.555

Water Solubility, LogSw

-5.64

Polar Surface Area

47.779

Acid Dissociation Constant (pKa)

6.89

Base Dissociation Constant (pKb)

3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with 0808-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0808-0046?
Check Price and Availability of 0808-0046, 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 0808-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0808-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0808-0046
  • 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 0808-0046 available by request