0808-0111 Screening compound: 4-chloro-2-[(E)-{[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenol

0808-0111 Screening compound: 4-chloro-2-[(E)-{[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenol
0808-0111 Screening compound: 4-chloro-2-[(E)-{[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0808-0111
4-chloro-2-[(E)-{[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenol

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

0808-0111

Molecular Formula

C22H17ClN2O3 (C22 H17 ClN2 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1-c1nc(cc(cc2)/N=C/c(cc(cc3)Cl)c3O)c2o1

InChI

InChI=1S/C22H17ClN2O3/c1-2-27-18-7-3-14(4-8-18)22-25-19-12-17(6-10-21(19)28-22)24-13-15-11-16(23)5-9-20(15)26/h3-13,26H,2H2,1H3

InChI Key

VPLNNRDOXFMMCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00296278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.84

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

5.723

Distribution Coefficient, logD

5.653

Water Solubility, LogSw

-5.75

Polar Surface Area

48.848

Acid Dissociation Constant (pKa)

8.16

Base Dissociation Constant (pKb)

4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with 0808-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0808-0111?
Check Price and Availability of 0808-0111, 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 0808-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0808-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0808-0111
  • 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 0808-0111 available by request