8005-6770 Screening compound: 3,4-dibromo-2-[(E)-{[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl]-6-methoxyphenol

8005-6770 Screening compound: 3,4-dibromo-2-[(E)-{[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl]-6-methoxyphenol
8005-6770 Screening compound: 3,4-dibromo-2-[(E)-{[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl]-6-methoxyphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-6770
3,4-dibromo-2-[(E)-{[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]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

8005-6770

Molecular Formula

C23H18Br2N2O3 (C23 H18 Br2 N2 O3)

Compound Name

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

IUPAC name

34-dibromo-2-[(E)-{[3-(56-dimethyl-13-benzoxazol-2-yl)phenyl]imino}methyl]-6-methoxyphenol

SMILES

Cc(c(C)c1)cc2c1oc(-c1cccc(/N=C/c(c(Br)c(cc3OC)Br)c3O)c1)n2

InChI

InChI=1S/C23H18Br2N2O3/c1-12-7-18-19(8-13(12)2)30-23(27-18)14-5-4-6-15(9-14)26-11-16-21(25)17(24)10-20(29-3)22(16)28/h4-11,28H,1-3H3

InChI Key

XZFRRGFTDSMCBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00821401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.22

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

6.629

Distribution Coefficient, logD

6.161

Water Solubility, LogSw

-5.77

Polar Surface Area

48.286

Acid Dissociation Constant (pKa)

7.11

Base Dissociation Constant (pKb)

4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

References: we are preparing a list of scientific research reports with 8005-6770 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-6770?
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What is the minimum amount of 8005-6770 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-6770
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-6770
  • 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 8005-6770 available by request