2235-0406 Screening compound: N'-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-[2-(pyridin-2-yl)-1H-1,3-benzodiazol-1-yl]acetohydrazide

2235-0406 Screening compound: N'-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-[2-(pyridin-2-yl)-1H-1,3-benzodiazol-1-yl]acetohydrazide
2235-0406 Screening compound: N'-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-[2-(pyridin-2-yl)-1H-1,3-benzodiazol-1-yl]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2235-0406
N'-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-[2-(pyridin-2-yl)-1H-1,3-benzodiazol-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

2235-0406

Molecular Formula

C21H15Br2N5O2 (C21 H15 Br2 N5 O2)

Compound Name

N'-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-[2-(pyridin-2-yl)-1H-1,3-benzodiazol-1-yl]acetohydrazide

IUPAC name

N'-[(E)-(35-dibromo-4-hydroxyphenyl)methylidene]-2-[2-(pyridin-2-yl)-1H-13-benzodiazol-1-yl]acetohydrazide

SMILES

Oc(c(Br)cc(/C=N/NC(Cn1c(-c2ncccc2)nc2c1cccc2)=O)c1)c1Br

InChI

InChI=1S/C21H15Br2N5O2/c22-14-9-13(10-15(23)20(14)30)11-25-27-19(29)12-28-18-7-2-1-5-16(18)26-21(28)17-6-3-4-8-24-17/h1-11,30H,12H2,(H,27,29)

InChI Key

OMLNFNBRRHLSFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01535155

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.19

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.193

Distribution Coefficient, logD

3.894

Water Solubility, LogSw

-4.26

Polar Surface Area

69.796

Acid Dissociation Constant (pKa)

7.40

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

2235-0406 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 2235-0406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2235-0406?
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What is the minimum amount of 2235-0406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2235-0406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2235-0406
  • 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 2235-0406 available by request