2181-1657 Screening compound: N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-(naphthalen-1-yl)acetohydrazide

2181-1657 Screening compound: N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-(naphthalen-1-yl)acetohydrazide
2181-1657 Screening compound: N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-(naphthalen-1-yl)acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2181-1657
N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-(naphthalen-1-yl)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

2181-1657

Molecular Formula

C19H14Br2N2O2 (C19 H14 Br2 N2 O2)

Compound Name

N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-(naphthalen-1-yl)acetohydrazide

IUPAC name

N'-[(E)-(35-dibromo-2-hydroxyphenyl)methylidene]-2-(naphthalen-1-yl)acetohydrazide

SMILES

Oc(c(/C=N/NC(Cc1cccc2ccccc12)=O)cc(Br)c1)c1Br

InChI

InChI=1S/C19H14Br2N2O2/c20-15-8-14(19(25)17(21)10-15)11-22-23-18(24)9-13-6-3-5-12-4-1-2-7-16(12)13/h1-8,10-11,25H,9H2,(H,23,24)

InChI Key

TXEYVFZPXGEYOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00380191

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.14

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.655

Distribution Coefficient, logD

5.556

Water Solubility, LogSw

-6.75

Polar Surface Area

50.548

Acid Dissociation Constant (pKa)

7.99

Base Dissociation Constant (pKb)

1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

2181-1657 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 2181-1657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2181-1657?
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What is the minimum amount of 2181-1657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2181-1657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2181-1657
  • 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 2181-1657 available by request