4133-2161 Screening compound: N-[(4-hydroxyphthalazin-1-yl)({N'-[(E)-(3-methoxy-4-propoxyphenyl)methylidene]hydrazinecarbonyl})methyl]benzamide

4133-2161 Screening compound: N-[(4-hydroxyphthalazin-1-yl)({N'-[(E)-(3-methoxy-4-propoxyphenyl)methylidene]hydrazinecarbonyl})methyl]benzamide
4133-2161 Screening compound: N-[(4-hydroxyphthalazin-1-yl)({N'-[(E)-(3-methoxy-4-propoxyphenyl)methylidene]hydrazinecarbonyl})methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4133-2161
N-[(4-hydroxyphthalazin-1-yl)({N'-[(E)-(3-methoxy-4-propoxyphenyl)methylidene]hydrazinecarbonyl})methyl]benzamide

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

4133-2161

Molecular Formula

C28H27N5O5 (C28 H27 N5 O5)

Compound Name

N-[(4-hydroxyphthalazin-1-yl)({N'-[(E)-(3-methoxy-4-propoxyphenyl)methylidene]hydrazinecarbonyl})methyl]benzamide

IUPAC name

N-[(4-hydroxyphthalazin-1-yl)({N'-[(E)-(3-methoxy-4-propoxyphenyl)methylidene]hydrazinecarbonyl})methyl]benzamide

SMILES

CCCOc(ccc(/C=N/NC(C(c(c1ccccc11)nnc1O)NC(c1ccccc1)=O)=O)c1)c1OC

InChI

InChI=1S/C28H27N5O5/c1-3-15-38-22-14-13-18(16-23(22)37-2)17-29-32-28(36)25(30-26(34)19-9-5-4-6-10-19)24-20-11-7-8-12-21(20)27(35)33-31-24/h4-14,16-17,25H,3,15H2,1-2H3,(H,30,34)(H,32,36)(H,33,35)/t25-/m1/s1

InChI Key

BOMQFVIRLWGQQZ-RUZDIDTESA-N

MDL Number (MFCD)

MFCD02863690

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.658

Distribution Coefficient, logD

2.645

Water Solubility, LogSw

-3.89

Polar Surface Area

113.657

Acid Dissociation Constant (pKa)

6.43

Base Dissociation Constant (pKb)

1.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.90

4133-2161 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4133-2161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4133-2161?
Check Price and Availability of 4133-2161, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4133-2161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4133-2161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4133-2161
  • 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 4133-2161 available by request