3461-0363 Screening compound: 2-methoxyethyl 2-methyl-5-(naphthalene-2-sulfonamido)naphtho[1,2-b]furan-3-carboxylate

3461-0363 Screening compound: 2-methoxyethyl 2-methyl-5-(naphthalene-2-sulfonamido)naphtho[1,2-b]furan-3-carboxylate
3461-0363 Screening compound: 2-methoxyethyl 2-methyl-5-(naphthalene-2-sulfonamido)naphtho[1,2-b]furan-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3461-0363
2-methoxyethyl 2-methyl-5-(naphthalene-2-sulfonamido)naphtho[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

3461-0363

Molecular Formula

C27H23NO6S (C27 H23 NO6 S)

Compound Name

2-methoxyethyl 2-methyl-5-(naphthalene-2-sulfonamido)naphtho[1,2-b]furan-3-carboxylate

IUPAC name

2-methoxyethyl 2-methyl-5-(naphthalene-2-sulfonamido)naphtho[12-b]furan-3-carboxylate

SMILES

Cc1c(C(OCCOC)=O)c(cc(c2ccccc22)NS(c3cc4ccccc4cc3)(=O)=O)c2o1

InChI

InChI=1S/C27H23NO6S/c1-17-25(27(29)33-14-13-32-2)23-16-24(21-9-5-6-10-22(21)26(23)34-17)28-35(30,31)20-12-11-18-7-3-4-8-19(18)15-20/h3-12,15-16,28H,13-14H2,1-2H3

InChI Key

KDGZTRRNUXFUOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03192891

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.817

Distribution Coefficient, logD

4.771

Water Solubility, LogSw

-5.82

Polar Surface Area

77.218

Acid Dissociation Constant (pKa)

8.34

Base Dissociation Constant (pKb)

-8.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

3461-0363 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

Lipid Metabolism Library (9174 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Cardiovascular
  • Metabolic
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 3461-0363 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3461-0363?
Check Price and Availability of 3461-0363, 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 3461-0363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3461-0363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3461-0363
  • 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 3461-0363 available by request