4456-0411 Screening compound: ethyl 5-(naphthalene-2-sulfonamido)-2-propylnaphtho[1,2-b]furan-3-carboxylate

4456-0411 Screening compound: ethyl 5-(naphthalene-2-sulfonamido)-2-propylnaphtho[1,2-b]furan-3-carboxylate
4456-0411 Screening compound: ethyl 5-(naphthalene-2-sulfonamido)-2-propylnaphtho[1,2-b]furan-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4456-0411
ethyl 5-(naphthalene-2-sulfonamido)-2-propylnaphtho[1,2-b]furan-3-carboxylate

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

4456-0411

Molecular Formula

C28H25NO5S (C28 H25 NO5 S)

Compound Name

ethyl 5-(naphthalene-2-sulfonamido)-2-propylnaphtho[1,2-b]furan-3-carboxylate

IUPAC name

ethyl 5-(naphthalene-2-sulfonamido)-2-propylnaphtho[12-b]furan-3-carboxylate

SMILES

CCCc1c(C(OCC)=O)c(cc(c2ccccc22)NS(c3cc4ccccc4cc3)(=O)=O)c2o1

InChI

InChI=1S/C28H25NO5S/c1-3-9-25-26(28(30)33-4-2)23-17-24(21-12-7-8-13-22(21)27(23)34-25)29-35(31,32)20-15-14-18-10-5-6-11-19(18)16-20/h5-8,10-17,29H,3-4,9H2,1-2H3

InChI Key

LZWFQGSWFQZHLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03470655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.704

Distribution Coefficient, logD

6.657

Water Solubility, LogSw

-6.94

Polar Surface Area

68.330

Acid Dissociation Constant (pKa)

8.34

Base Dissociation Constant (pKb)

-8.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

4456-0411 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4456-0411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4456-0411?
Check Price and Availability of 4456-0411, 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 4456-0411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4456-0411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4456-0411
  • 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 4456-0411 available by request