1741-0872 Screening compound: N'-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-chlorobenzohydrazide

1741-0872 Screening compound: N'-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-chlorobenzohydrazide
1741-0872 Screening compound: N'-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-chlorobenzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1741-0872
N'-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-chlorobenzohydrazide

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

1741-0872

Molecular Formula

C15H12BrClN2O3 (C15 H12 BrClN2 O3)

Compound Name

N'-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-chlorobenzohydrazide

IUPAC name

N'-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-chlorobenzohydrazide

SMILES

COc1cc(/C=N/NC(c(cccc2)c2Cl)=O)cc(Br)c1O

InChI

InChI=1S/C15H12BrClN2O3/c1-22-13-7-9(6-11(16)14(13)20)8-18-19-15(21)10-4-2-3-5-12(10)17/h2-8,20H,1H3,(H,19,21)

InChI Key

ORNGJNOXHCOREP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00998107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.361

Distribution Coefficient, logD

3.121

Water Solubility, LogSw

-3.66

Polar Surface Area

58.664

Acid Dissociation Constant (pKa)

7.53

Base Dissociation Constant (pKb)

0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

1741-0872 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1741-0872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1741-0872?
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What is the minimum amount of 1741-0872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1741-0872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1741-0872
  • 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 1741-0872 available by request