3594-0811 Screening compound: propan-2-yl 5-(4-methoxybenzenesulfonamido)-2-methylnaphtho[1,2-b]furan-3-carboxylate

3594-0811 Screening compound: propan-2-yl 5-(4-methoxybenzenesulfonamido)-2-methylnaphtho[1,2-b]furan-3-carboxylate
3594-0811 Screening compound: propan-2-yl 5-(4-methoxybenzenesulfonamido)-2-methylnaphtho[1,2-b]furan-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3594-0811
propan-2-yl 5-(4-methoxybenzenesulfonamido)-2-methylnaphtho[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

3594-0811

Molecular Formula

C24H23NO6S (C24 H23 NO6 S)

Compound Name

propan-2-yl 5-(4-methoxybenzenesulfonamido)-2-methylnaphtho[1,2-b]furan-3-carboxylate

IUPAC name

propan-2-yl 5-(4-methoxybenzenesulfonamido)-2-methylnaphtho[12-b]furan-3-carboxylate

SMILES

CC(C)OC(c1c(C)oc(c2ccccc22)c1cc2NS(c(cc1)ccc1OC)(=O)=O)=O

InChI

InChI=1S/C24H23NO6S/c1-14(2)30-24(26)22-15(3)31-23-19-8-6-5-7-18(19)21(13-20(22)23)25-32(27,28)17-11-9-16(29-4)10-12-17/h5-14,25H,1-4H3

InChI Key

AMUBHTPCANFWCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01828888

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.212

Distribution Coefficient, logD

5.211

Water Solubility, LogSw

-5.40

Polar Surface Area

76.076

Acid Dissociation Constant (pKa)

9.99

Base Dissociation Constant (pKb)

-9.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

3594-0811 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

SH2 Library (10483 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 3594-0811 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3594-0811?
Check Price and Availability of 3594-0811, 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 3594-0811 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3594-0811
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3594-0811
  • 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 3594-0811 available by request