8007-0793 Screening compound: 2-[(E)-{[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl]-6-methylphenol

8007-0793 Screening compound: 2-[(E)-{[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl]-6-methylphenol
8007-0793 Screening compound: 2-[(E)-{[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl]-6-methylphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-0793
2-[(E)-{[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl]-6-methylphenol

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

8007-0793

Molecular Formula

C23H20N2O2 (C23 H20 N2 O2)

Compound Name

2-[(E)-{[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl]-6-methylphenol

IUPAC name

2-[(E)-{[3-(57-dimethyl-13-benzoxazol-2-yl)phenyl]imino}methyl]-6-methylphenol

SMILES

Cc1cc(C)c2oc(-c3cc(/N=C/c(cccc4C)c4O)ccc3)nc2c1

InChI

InChI=1S/C23H20N2O2/c1-14-10-16(3)22-20(11-14)25-23(27-22)17-7-5-9-19(12-17)24-13-18-8-4-6-15(2)21(18)26/h4-13,26H,1-3H3

InChI Key

SWRWPOJHMNBUQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00828238

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.030

Distribution Coefficient, logD

6.024

Water Solubility, LogSw

-5.51

Polar Surface Area

40.888

Acid Dissociation Constant (pKa)

9.33

Base Dissociation Constant (pKb)

4.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

8007-0793 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8007-0793 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-0793?
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What is the minimum amount of 8007-0793 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-0793
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-0793
  • 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 8007-0793 available by request