8005-7709 Screening compound: 2,4-dibromo-6-[(E)-{[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]benzene-1,3-diol

8005-7709 Screening compound: 2,4-dibromo-6-[(E)-{[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]benzene-1,3-diol
8005-7709 Screening compound: 2,4-dibromo-6-[(E)-{[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]benzene-1,3-diol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-7709
2,4-dibromo-6-[(E)-{[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]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

8005-7709

Molecular Formula

C20H10Br2Cl2N2O3 (C20 H10 Br2 Cl2 N2 O3)

Compound Name

2,4-dibromo-6-[(E)-{[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]benzene-1,3-diol

IUPAC name

24-dibromo-6-[(E)-{[2-(25-dichlorophenyl)-13-benzoxazol-5-yl]imino}methyl]benzene-13-diol

SMILES

Oc(c(Br)c1O)c(/C=N/c(cc2)cc3c2oc(-c(cc(cc2)Cl)c2Cl)n3)cc1Br

InChI

InChI=1S/C20H10Br2Cl2N2O3/c21-13-5-9(18(27)17(22)19(13)28)8-25-11-2-4-16-15(7-11)26-20(29-16)12-6-10(23)1-3-14(12)24/h1-8,27-28H

InChI Key

OWFYAYPHPMBUAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00822221

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

557.02

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

7.225

Distribution Coefficient, logD

6.473

Water Solubility, LogSw

-6.58

Polar Surface Area

56.134

Acid Dissociation Constant (pKa)

6.73

Base Dissociation Constant (pKb)

3.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8005-7709 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8005-7709 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-7709?
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What is the minimum amount of 8005-7709 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-7709
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-7709
  • 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 8005-7709 available by request