0781-3026 Screening compound: 2-bromo-6-[(E)-{[2-(3-bromo-4-methylphenyl)-1,3-benzoxazol-5-yl]imino}methyl]-4-chlorophenol

0781-3026 Screening compound: 2-bromo-6-[(E)-{[2-(3-bromo-4-methylphenyl)-1,3-benzoxazol-5-yl]imino}methyl]-4-chlorophenol
0781-3026 Screening compound: 2-bromo-6-[(E)-{[2-(3-bromo-4-methylphenyl)-1,3-benzoxazol-5-yl]imino}methyl]-4-chlorophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0781-3026
2-bromo-6-[(E)-{[2-(3-bromo-4-methylphenyl)-1,3-benzoxazol-5-yl]imino}methyl]-4-chlorophenol

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

0781-3026

Molecular Formula

C21H13Br2ClN2O2 (C21 H13 Br2 ClN2 O2)

Compound Name

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

IUPAC name

2-bromo-6-[(E)-{[2-(3-bromo-4-methylphenyl)-13-benzoxazol-5-yl]imino}methyl]-4-chlorophenol

SMILES

Cc(ccc(-c1nc(cc(cc2)/N=C/c3cc(Cl)cc(Br)c3O)c2o1)c1)c1Br

InChI

InChI=1S/C21H13Br2ClN2O2/c1-11-2-3-12(7-16(11)22)21-26-18-9-15(4-5-19(18)28-21)25-10-13-6-14(24)8-17(23)20(13)27/h2-10,27H,1H3

InChI Key

CLSUTCMDHHQCOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00639109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.61

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.109

Distribution Coefficient, logD

6.507

Water Solubility, LogSw

-6.18

Polar Surface Area

40.655

Acid Dissociation Constant (pKa)

6.92

Base Dissociation Constant (pKb)

3.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

References: we are preparing a list of scientific research reports with 0781-3026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0781-3026?
Check Price and Availability of 0781-3026, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0781-3026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0781-3026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0781-3026
  • 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 0781-3026 available by request