1888-0729 Screening compound: N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]-2-(quinolin-2-ylsulfanyl)acetohydrazide

1888-0729 Screening compound: N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]-2-(quinolin-2-ylsulfanyl)acetohydrazide
1888-0729 Screening compound: N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]-2-(quinolin-2-ylsulfanyl)acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1888-0729
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]-2-(quinolin-2-ylsulfanyl)acetohydrazide

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

1888-0729

Molecular Formula

C18H14BrN3O2S (C18 H14 BrN3 O2 S)

Compound Name

N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]-2-(quinolin-2-ylsulfanyl)acetohydrazide

IUPAC name

N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]-2-(quinolin-2-ylsulfanyl)acetohydrazide

SMILES

Oc(cc1)c(/C=N/NC(CSc2nc3ccccc3cc2)=O)cc1Br

InChI

InChI=1S/C18H14BrN3O2S/c19-14-6-7-16(23)13(9-14)10-20-22-17(24)11-25-18-8-5-12-3-1-2-4-15(12)21-18/h1-10,23H,11H2,(H,22,24)

InChI Key

JEPSUZQSLLXFDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01119391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.611

Distribution Coefficient, logD

4.608

Water Solubility, LogSw

-4.59

Polar Surface Area

59.581

Acid Dissociation Constant (pKa)

9.88

Base Dissociation Constant (pKb)

1.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

1888-0729 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1888-0729 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1888-0729?
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What is the minimum amount of 1888-0729 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1888-0729
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1888-0729
  • 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 1888-0729 available by request