8003-6499 Screening compound: 2-bromo-6-[(E)-{[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]imino}methyl]-4-methylphenol

8003-6499 Screening compound: 2-bromo-6-[(E)-{[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]imino}methyl]-4-methylphenol
8003-6499 Screening compound: 2-bromo-6-[(E)-{[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]imino}methyl]-4-methylphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-6499
2-bromo-6-[(E)-{[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]imino}methyl]-4-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

8003-6499

Molecular Formula

C25H23BrN2O2 (C25 H23 BrN2 O2)

Compound Name

2-bromo-6-[(E)-{[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]imino}methyl]-4-methylphenol

IUPAC name

2-bromo-6-[(E)-{[2-(4-tert-butylphenyl)-13-benzoxazol-6-yl]imino}methyl]-4-methylphenol

SMILES

CC(C)(C)c(cc1)ccc1-c1nc(ccc(/N=C/c2cc(C)cc(Br)c2O)c2)c2o1

InChI

InChI=1S/C25H23BrN2O2/c1-15-11-17(23(29)20(26)12-15)14-27-19-9-10-21-22(13-19)30-24(28-21)16-5-7-18(8-6-16)25(2,3)4/h5-14,29H,1-4H3

InChI Key

KFTDCGKWGCYWPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00735700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.576

Distribution Coefficient, logD

7.397

Water Solubility, LogSw

-5.69

Polar Surface Area

40.655

Acid Dissociation Constant (pKa)

7.70

Base Dissociation Constant (pKb)

4.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 8003-6499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-6499?
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What is the minimum amount of 8003-6499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-6499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-6499
  • 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 8003-6499 available by request