8004-6159 Screening compound: N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-(quinolin-2-ylsulfanyl)acetohydrazide

8004-6159 Screening compound: N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-(quinolin-2-ylsulfanyl)acetohydrazide
8004-6159 Screening compound: N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-(quinolin-2-ylsulfanyl)acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-6159
N'-[(E)-(3,5-dibromo-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

8004-6159

Molecular Formula

C18H13Br2N3O2S (C18 H13 Br2 N3 O2 S)

Compound Name

N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-(quinolin-2-ylsulfanyl)acetohydrazide

IUPAC name

N'-[(E)-(35-dibromo-2-hydroxyphenyl)methylidene]-2-(quinolin-2-ylsulfanyl)acetohydrazide

SMILES

Oc(c(/C=N/NC(CSc1nc2ccccc2cc1)=O)cc(Br)c1)c1Br

InChI

InChI=1S/C18H13Br2N3O2S/c19-13-7-12(18(25)14(20)8-13)9-21-23-16(24)10-26-17-6-5-11-3-1-2-4-15(11)22-17/h1-9,25H,10H2,(H,23,24)

InChI Key

IMDOBAVIZMMMMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00739825

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.19

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

5.370

Distribution Coefficient, logD

5.326

Water Solubility, LogSw

-6.20

Polar Surface Area

58.512

Acid Dissociation Constant (pKa)

8.37

Base Dissociation Constant (pKb)

1.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

8004-6159 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 8004-6159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-6159?
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What is the minimum amount of 8004-6159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-6159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-6159
  • 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 8004-6159 available by request