2039-0631 Screening compound: N'-[(E)-{4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl}methylidene]-2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)acetohydrazide

2039-0631 Screening compound: N'-[(E)-{4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl}methylidene]-2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)acetohydrazide
2039-0631 Screening compound: N'-[(E)-{4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl}methylidene]-2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2039-0631
N'-[(E)-{4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl}methylidene]-2-(5-phenyl-2H-1,2,3,4-tetrazol-2-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

2039-0631

Molecular Formula

C25H22Cl2N6O3 (C25 H22 Cl2 N6 O3)

Compound Name

N'-[(E)-{4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl}methylidene]-2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)acetohydrazide

IUPAC name

N'-[(E)-{4-[(24-dichlorophenyl)methoxy]-3-ethoxyphenyl}methylidene]-2-(5-phenyl-2H-1234-tetrazol-2-yl)acetohydrazide

SMILES

CCOc(cc(/C=N/NC(Cn1nnc(-c2ccccc2)n1)=O)cc1)c1OCc(ccc(Cl)c1)c1Cl

InChI

InChI=1S/C25H22Cl2N6O3/c1-2-35-23-12-17(8-11-22(23)36-16-19-9-10-20(26)13-21(19)27)14-28-29-24(34)15-33-31-25(30-32-33)18-6-4-3-5-7-18/h3-14H,2,15-16H2,1H3,(H,29,34)

InChI Key

JBCMQWPCFWSDQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01066034

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.937

Distribution Coefficient, logD

4.937

Water Solubility, LogSw

-5.12

Polar Surface Area

88.240

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

2039-0631 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 2039-0631 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 2039-0631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2039-0631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2039-0631
  • 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 2039-0631 available by request