2259-4074 Screening compound: 3-benzyl-7-[(2E)-2-(hydroxyimino)-2-(4-methylphenyl)ethoxy]-4,8-dimethyl-2H-chromen-2-one

2259-4074 Screening compound: 3-benzyl-7-[(2E)-2-(hydroxyimino)-2-(4-methylphenyl)ethoxy]-4,8-dimethyl-2H-chromen-2-one
2259-4074 Screening compound: 3-benzyl-7-[(2E)-2-(hydroxyimino)-2-(4-methylphenyl)ethoxy]-4,8-dimethyl-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2259-4074
3-benzyl-7-[(2E)-2-(hydroxyimino)-2-(4-methylphenyl)ethoxy]-4,8-dimethyl-2H-chromen-2-one

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

2259-4074

Molecular Formula

C27H25NO4 (C27 H25 NO4)

Compound Name

3-benzyl-7-[(2E)-2-(hydroxyimino)-2-(4-methylphenyl)ethoxy]-4,8-dimethyl-2H-chromen-2-one

IUPAC name

3-benzyl-7-[(2E)-2-(hydroxyimino)-2-(4-methylphenyl)ethoxy]-48-dimethyl-2H-chromen-2-one

SMILES

Cc(cc1)ccc1/C(/COc(cc1)c(C)c(O2)c1C(C)=C(Cc1ccccc1)C2=O)=N\O

InChI

InChI=1S/C27H25NO4/c1-17-9-11-21(12-10-17)24(28-30)16-31-25-14-13-22-18(2)23(15-20-7-5-4-6-8-20)27(29)32-26(22)19(25)3/h4-14,30H,15-16H2,1-3H3

InChI Key

TTXILKDUFBKGQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01840133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.831

Distribution Coefficient, logD

5.831

Water Solubility, LogSw

-5.60

Polar Surface Area

57.392

Acid Dissociation Constant (pKa)

11.52

Base Dissociation Constant (pKb)

1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

2259-4074 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 2259-4074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2259-4074?
Check Price and Availability of 2259-4074, 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 2259-4074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2259-4074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2259-4074
  • 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 2259-4074 available by request