0780-1030 Screening compound: 4-bromo-2-[(E)-{[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-6-chlorophenol

0780-1030 Screening compound: 4-bromo-2-[(E)-{[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-6-chlorophenol
0780-1030 Screening compound: 4-bromo-2-[(E)-{[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-6-chlorophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0780-1030
4-bromo-2-[(E)-{[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-6-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

0780-1030

Molecular Formula

C20H11Br2ClN2O2 (C20 H11 Br2 ClN2 O2)

Compound Name

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

IUPAC name

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

SMILES

Oc(c(/C=N/c(cc1)cc2c1oc(-c1cc(Br)ccc1)n2)cc(Br)c1)c1Cl

InChI

InChI=1S/C20H11Br2ClN2O2/c21-13-3-1-2-11(6-13)20-25-17-9-15(4-5-18(17)27-20)24-10-12-7-14(22)8-16(23)19(12)26/h1-10,26H

InChI Key

IMYFUFXNQNFASS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00353909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.58

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

7.164

Distribution Coefficient, logD

6.619

Water Solubility, LogSw

-6.42

Polar Surface Area

40.655

Acid Dissociation Constant (pKa)

7.00

Base Dissociation Constant (pKb)

3.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 0780-1030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0780-1030?
Check Price and Availability of 0780-1030, 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 0780-1030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0780-1030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0780-1030
  • 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 0780-1030 available by request