3379-2744 Screening compound: 4-[(1Z)-2-[(furan-2-yl)formamido]-2-[(naphthalen-2-yl)carbamoyl]eth-1-en-1-yl]phenyl acetate

3379-2744 Screening compound: 4-[(1Z)-2-[(furan-2-yl)formamido]-2-[(naphthalen-2-yl)carbamoyl]eth-1-en-1-yl]phenyl acetate
3379-2744 Screening compound: 4-[(1Z)-2-[(furan-2-yl)formamido]-2-[(naphthalen-2-yl)carbamoyl]eth-1-en-1-yl]phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3379-2744
4-[(1Z)-2-[(furan-2-yl)formamido]-2-[(naphthalen-2-yl)carbamoyl]eth-1-en-1-yl]phenyl acetate

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

3379-2744

Molecular Formula

C26H20N2O5 (C26 H20 N2 O5)

Compound Name

4-[(1Z)-2-[(furan-2-yl)formamido]-2-[(naphthalen-2-yl)carbamoyl]eth-1-en-1-yl]phenyl acetate

IUPAC name

4-[(1Z)-2-[(furan-2-yl)formamido]-2-[(naphthalen-2-yl)carbamoyl]eth-1-en-1-yl]phenyl acetate

SMILES

CC(Oc1ccc(/C=C(/C(Nc2cc3ccccc3cc2)=O)\NC(c2ccco2)=O)cc1)=O

InChI

InChI=1S/C26H20N2O5/c1-17(29)33-22-12-8-18(9-13-22)15-23(28-26(31)24-7-4-14-32-24)25(30)27-21-11-10-19-5-2-3-6-20(19)16-21/h2-16H,1H3,(H,27,30)(H,28,31)

InChI Key

UHUMIMHPCRXZNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02642389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.243

Distribution Coefficient, logD

4.197

Water Solubility, LogSw

-4.51

Polar Surface Area

74.312

Acid Dissociation Constant (pKa)

8.38

Base Dissociation Constant (pKb)

-2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.80

3379-2744 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

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 3379-2744 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3379-2744?
Check Price and Availability of 3379-2744, 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 3379-2744 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3379-2744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3379-2744
  • 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 3379-2744 available by request