8005-6934 Screening compound: 4-bromo-2-[(E)-{[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-6-methoxyphenol

8005-6934 Screening compound: 4-bromo-2-[(E)-{[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-6-methoxyphenol
8005-6934 Screening compound: 4-bromo-2-[(E)-{[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-6-methoxyphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-6934
4-bromo-2-[(E)-{[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-6-methoxyphenol

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

8005-6934

Molecular Formula

C21H13BrCl2N2O3 (C21 H13 BrCl2 N2 O3)

Compound Name

4-bromo-2-[(E)-{[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-6-methoxyphenol

IUPAC name

4-bromo-2-[(E)-{[2-(34-dichlorophenyl)-13-benzoxazol-5-yl]imino}methyl]-6-methoxyphenol

SMILES

COc(cc(cc1/C=N/c(cc2)cc3c2oc(-c(cc2)cc(Cl)c2Cl)n3)Br)c1O

InChI

InChI=1S/C21H13BrCl2N2O3/c1-28-19-8-13(22)6-12(20(19)27)10-25-14-3-5-18-17(9-14)26-21(29-18)11-2-4-15(23)16(24)7-11/h2-10,27H,1H3

InChI Key

YYNJOPPDHFKCNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00821553

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.16

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.538

Distribution Coefficient, logD

6.416

Water Solubility, LogSw

-6.07

Polar Surface Area

48.286

Acid Dissociation Constant (pKa)

7.89

Base Dissociation Constant (pKb)

4.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

References: we are preparing a list of scientific research reports with 8005-6934 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-6934?
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What is the minimum amount of 8005-6934 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-6934
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-6934
  • 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 8005-6934 available by request