1812-0880 Screening compound: 2-[(E)-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]imino}methyl]-4-benzylphenol

1812-0880 Screening compound: 2-[(E)-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]imino}methyl]-4-benzylphenol
1812-0880 Screening compound: 2-[(E)-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]imino}methyl]-4-benzylphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1812-0880
2-[(E)-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]imino}methyl]-4-benzylphenol

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

1812-0880

Molecular Formula

C28H22N2O3 (C28 H22 N2 O3)

Compound Name

2-[(E)-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]imino}methyl]-4-benzylphenol

IUPAC name

2-[(E)-{[5-(13-benzoxazol-2-yl)-2-methoxyphenyl]imino}methyl]-4-benzylphenol

SMILES

COc(ccc(-c1nc(cccc2)c2o1)c1)c1/N=C/c(cc(Cc1ccccc1)cc1)c1O

InChI

InChI=1S/C28H22N2O3/c1-32-26-14-12-21(28-30-23-9-5-6-10-27(23)33-28)17-24(26)29-18-22-16-20(11-13-25(22)31)15-19-7-3-2-4-8-19/h2-14,16-18,31H,15H2,1H3

InChI Key

LADAJKMWVDLHAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01063490

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.353

Distribution Coefficient, logD

6.326

Water Solubility, LogSw

-5.55

Polar Surface Area

48.385

Acid Dissociation Constant (pKa)

8.59

Base Dissociation Constant (pKb)

3.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

1812-0880 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1812-0880 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1812-0880?
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What is the minimum amount of 1812-0880 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1812-0880
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1812-0880
  • 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 1812-0880 available by request