0850-0263 Screening compound: 4-[(E)-{[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenyl 3-bromobenzoate

0850-0263 Screening compound: 4-[(E)-{[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenyl 3-bromobenzoate
0850-0263 Screening compound: 4-[(E)-{[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenyl 3-bromobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0850-0263
4-[(E)-{[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenyl 3-bromobenzoate

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

0850-0263

Molecular Formula

C28H19BrN2O3 (C28 H19 BrN2 O3)

Compound Name

4-[(E)-{[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenyl 3-bromobenzoate

IUPAC name

4-[(E)-{[2-(4-methylphenyl)-13-benzoxazol-5-yl]imino}methyl]phenyl 3-bromobenzoate

SMILES

Cc(cc1)ccc1-c1nc(cc(cc2)/N=C/c(cc3)ccc3OC(c3cccc(Br)c3)=O)c2o1

InChI

InChI=1S/C28H19BrN2O3/c1-18-5-9-20(10-6-18)27-31-25-16-23(11-14-26(25)34-27)30-17-19-7-12-24(13-8-19)33-28(32)21-3-2-4-22(29)15-21/h2-17H,1H3

InChI Key

RAZRUIGTYXXIMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00290359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.951

Distribution Coefficient, logD

6.951

Water Solubility, LogSw

-5.84

Polar Surface Area

45.554

Acid Dissociation Constant (pKa)

28.37

Base Dissociation Constant (pKb)

4.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.60

References: we are preparing a list of scientific research reports with 0850-0263 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0850-0263?
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What is the minimum amount of 0850-0263 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0850-0263
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0850-0263
  • 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 0850-0263 available by request