0781-3027 Screening compound: 3,4-dibromo-2-[(E)-{[2-(3-bromo-4-methylphenyl)-1,3-benzoxazol-5-yl]imino}methyl]-6-methoxyphenol

0781-3027 Screening compound: 3,4-dibromo-2-[(E)-{[2-(3-bromo-4-methylphenyl)-1,3-benzoxazol-5-yl]imino}methyl]-6-methoxyphenol
0781-3027 Screening compound: 3,4-dibromo-2-[(E)-{[2-(3-bromo-4-methylphenyl)-1,3-benzoxazol-5-yl]imino}methyl]-6-methoxyphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0781-3027
3,4-dibromo-2-[(E)-{[2-(3-bromo-4-methylphenyl)-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

0781-3027

Molecular Formula

C22H15Br3N2O3 (C22 H15 Br3 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(-c1nc(cc(cc2)/N=C/c(c(Br)c(cc3OC)Br)c3O)c2o1)c1)c1Br

InChI

InChI=1S/C22H15Br3N2O3/c1-11-3-4-12(7-15(11)23)22-27-17-8-13(5-6-18(17)30-22)26-10-14-20(25)16(24)9-19(29-2)21(14)28/h3-10,28H,1-2H3

InChI Key

PHNNOYKHGJOADS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00639110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

595.08

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

6.924

Distribution Coefficient, logD

6.456

Water Solubility, LogSw

-5.73

Polar Surface Area

48.286

Acid Dissociation Constant (pKa)

7.11

Base Dissociation Constant (pKb)

4.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with 0781-3027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0781-3027?
Check Price and Availability of 0781-3027, 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 0781-3027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0781-3027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0781-3027
  • 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 0781-3027 available by request