8005-7209 Screening compound: 2,4-dibromo-6-[(E)-{[4-(4-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl]benzene-1,3-diol

8005-7209 Screening compound: 2,4-dibromo-6-[(E)-{[4-(4-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl]benzene-1,3-diol
8005-7209 Screening compound: 2,4-dibromo-6-[(E)-{[4-(4-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl]benzene-1,3-diol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-7209
2,4-dibromo-6-[(E)-{[4-(4-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl]benzene-1,3-diol

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

8005-7209

Molecular Formula

C21H14Br2N2O3 (C21 H14 Br2 N2 O3)

Compound Name

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

IUPAC name

24-dibromo-6-[(E)-{[4-(4-methyl-13-benzoxazol-2-yl)phenyl]imino}methyl]benzene-13-diol

SMILES

Cc1cccc2c1nc(-c(cc1)ccc1/N=C/c(cc(c(O)c1Br)Br)c1O)o2

InChI

InChI=1S/C21H14Br2N2O3/c1-11-3-2-4-16-18(11)25-21(28-16)12-5-7-14(8-6-12)24-10-13-9-15(22)20(27)17(23)19(13)26/h2-10,26-27H,1H3

InChI Key

OTPAQVVNTZOOQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00821794

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.16

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.489

Distribution Coefficient, logD

5.738

Water Solubility, LogSw

-5.70

Polar Surface Area

56.905

Acid Dissociation Constant (pKa)

6.73

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

References: we are preparing a list of scientific research reports with 8005-7209 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-7209?
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What is the minimum amount of 8005-7209 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-7209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-7209
  • 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 8005-7209 available by request