8006-2362 Screening compound: (E)-1-[4-(benzyloxy)phenyl]-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]methanimine

8006-2362 Screening compound: (E)-1-[4-(benzyloxy)phenyl]-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]methanimine
8006-2362 Screening compound: (E)-1-[4-(benzyloxy)phenyl]-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-2362
(E)-1-[4-(benzyloxy)phenyl]-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]methanimine

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

8006-2362

Molecular Formula

C28H22N2O3 (C28 H22 N2 O3)

Compound Name

(E)-1-[4-(benzyloxy)phenyl]-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]methanimine

IUPAC name

(E)-1-[4-(benzyloxy)phenyl]-N-[2-(3-methoxyphenyl)-13-benzoxazol-5-yl]methanimine

SMILES

COc1cccc(-c2nc(cc(cc3)/N=C/c(cc4)ccc4OCc4ccccc4)c3o2)c1

InChI

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

InChI Key

YGNUWVNSNHDXQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00824209

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.096

Distribution Coefficient, logD

6.095

Water Solubility, LogSw

-5.80

Polar Surface Area

39.947

Acid Dissociation Constant (pKa)

29.40

Base Dissociation Constant (pKb)

4.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

8006-2362 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 8006-2362 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-2362?
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What is the minimum amount of 8006-2362 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-2362
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-2362
  • 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 8006-2362 available by request