4456-3646 Screening compound: benzyl 2-methyl-5-(4-methylbenzenesulfonamido)naphtho[1,2-b]furan-3-carboxylate

4456-3646 Screening compound: benzyl 2-methyl-5-(4-methylbenzenesulfonamido)naphtho[1,2-b]furan-3-carboxylate
4456-3646 Screening compound: benzyl 2-methyl-5-(4-methylbenzenesulfonamido)naphtho[1,2-b]furan-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4456-3646
benzyl 2-methyl-5-(4-methylbenzenesulfonamido)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

4456-3646

Molecular Formula

C28H23NO5S (C28 H23 NO5 S)

Compound Name

benzyl 2-methyl-5-(4-methylbenzenesulfonamido)naphtho[1,2-b]furan-3-carboxylate

IUPAC name

benzyl 2-methyl-5-(4-methylbenzenesulfonamido)naphtho[12-b]furan-3-carboxylate

SMILES

Cc1c(C(OCc2ccccc2)=O)c(cc(c2ccccc22)NS(c3ccc(C)cc3)(=O)=O)c2o1

InChI

InChI=1S/C28H23NO5S/c1-18-12-14-21(15-13-18)35(31,32)29-25-16-24-26(28(30)33-17-20-8-4-3-5-9-20)19(2)34-27(24)23-11-7-6-10-22(23)25/h3-16,29H,17H2,1-2H3

InChI Key

AEQQDMMSOXGPSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03471059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.216

Distribution Coefficient, logD

6.205

Water Solubility, LogSw

-5.75

Polar Surface Area

68.957

Acid Dissociation Constant (pKa)

8.99

Base Dissociation Constant (pKb)

-8.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.70

4456-3646 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 4456-3646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4456-3646?
Check Price and Availability of 4456-3646, 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 4456-3646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4456-3646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4456-3646
  • 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 4456-3646 available by request