0780-1009 Screening compound: 5-[(E)-{[4-(benzyloxy)phenyl]methylidene}amino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenol

0780-1009 Screening compound: 5-[(E)-{[4-(benzyloxy)phenyl]methylidene}amino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenol
0780-1009 Screening compound: 5-[(E)-{[4-(benzyloxy)phenyl]methylidene}amino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0780-1009
5-[(E)-{[4-(benzyloxy)phenyl]methylidene}amino]-2-(5-methyl-1,3-benzoxazol-2-yl)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

0780-1009

Molecular Formula

C28H22N2O3 (C28 H22 N2 O3)

Compound Name

5-[(E)-{[4-(benzyloxy)phenyl]methylidene}amino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenol

IUPAC name

5-[(E)-{[4-(benzyloxy)phenyl]methylidene}amino]-2-(5-methyl-13-benzoxazol-2-yl)phenol

SMILES

Cc(cc1)cc2c1oc(-c(ccc(/N=C/c(cc1)ccc1OCc1ccccc1)c1)c1O)n2

InChI

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

InChI Key

CIIAHVZJUUXQMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00806177

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

6.460

Distribution Coefficient, logD

6.458

Water Solubility, LogSw

-5.77

Polar Surface Area

48.952

Acid Dissociation Constant (pKa)

9.91

Base Dissociation Constant (pKb)

4.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

References: we are preparing a list of scientific research reports with 0780-1009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0780-1009?
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What is the minimum amount of 0780-1009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0780-1009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0780-1009
  • 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 0780-1009 available by request