8005-7231 Screening compound: 2-bromo-6-[(E)-{[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-4-nitrophenol

8005-7231 Screening compound: 2-bromo-6-[(E)-{[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-4-nitrophenol
8005-7231 Screening compound: 2-bromo-6-[(E)-{[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-4-nitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-7231
2-bromo-6-[(E)-{[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-4-nitrophenol

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

8005-7231

Molecular Formula

C20H10BrCl2N3O4 (C20 H10 BrCl2 N3 O4)

Compound Name

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

IUPAC name

2-bromo-6-[(E)-{[2-(25-dichlorophenyl)-13-benzoxazol-5-yl]imino}methyl]-4-nitrophenol

SMILES

[O-][N+](c(cc1/C=N/c(cc2)cc3c2oc(-c(cc(cc2)Cl)c2Cl)n3)cc(Br)c1O)=O

InChI

InChI=1S/C20H10BrCl2N3O4/c21-15-8-13(26(28)29)5-10(19(15)27)9-24-12-2-4-18-17(7-12)25-20(30-18)14-6-11(22)1-3-16(14)23/h1-9,27H

InChI Key

XSJLEBRFCAYAIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00821814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.13

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.692

Distribution Coefficient, logD

3.608

Water Solubility, LogSw

-6.46

Polar Surface Area

74.037

Acid Dissociation Constant (pKa)

4.32

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8005-7231 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8005-7231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-7231?
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What is the minimum amount of 8005-7231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-7231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-7231
  • 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 8005-7231 available by request