8003-6804 Screening compound: 2-bromo-4-chloro-6-[(E)-{[4-hydroxy-3-(4-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl]-3,5-dimethylphenol

8003-6804 Screening compound: 2-bromo-4-chloro-6-[(E)-{[4-hydroxy-3-(4-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl]-3,5-dimethylphenol
8003-6804 Screening compound: 2-bromo-4-chloro-6-[(E)-{[4-hydroxy-3-(4-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl]-3,5-dimethylphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-6804
2-bromo-4-chloro-6-[(E)-{[4-hydroxy-3-(4-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl]-3,5-dimethylphenol

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

8003-6804

Molecular Formula

C23H18BrClN2O3 (C23 H18 BrClN2 O3)

Compound Name

2-bromo-4-chloro-6-[(E)-{[4-hydroxy-3-(4-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl]-3,5-dimethylphenol

IUPAC name

2-bromo-4-chloro-6-[(E)-{[4-hydroxy-3-(4-methyl-13-benzoxazol-2-yl)phenyl]imino}methyl]-35-dimethylphenol

SMILES

Cc1cccc2c1nc(-c(cc(cc1)/N=C/c3c(C)c(Cl)c(C)c(Br)c3O)c1O)o2

InChI

InChI=1S/C23H18BrClN2O3/c1-11-5-4-6-18-21(11)27-23(30-18)15-9-14(7-8-17(15)28)26-10-16-12(2)20(25)13(3)19(24)22(16)29/h4-10,28-29H,1-3H3

InChI Key

KUCCXOYJAVGMMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00735930

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.76

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.525

Distribution Coefficient, logD

7.209

Water Solubility, LogSw

-6.24

Polar Surface Area

57.974

Acid Dissociation Constant (pKa)

7.37

Base Dissociation Constant (pKb)

4.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

References: we are preparing a list of scientific research reports with 8003-6804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-6804?
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What is the minimum amount of 8003-6804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-6804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-6804
  • 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 8003-6804 available by request