4456-0644 Screening compound: butyl 2-methyl-5-(4-methylbenzenesulfonamido)naphtho[1,2-b]furan-3-carboxylate

4456-0644 Screening compound: butyl 2-methyl-5-(4-methylbenzenesulfonamido)naphtho[1,2-b]furan-3-carboxylate
4456-0644 Screening compound: butyl 2-methyl-5-(4-methylbenzenesulfonamido)naphtho[1,2-b]furan-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4456-0644
butyl 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

4456-0644

Molecular Formula

C25H25NO5S (C25 H25 NO5 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCOC(c1c(C)oc(c2ccccc22)c1cc2NS(c1ccc(C)cc1)(=O)=O)=O

InChI

InChI=1S/C25H25NO5S/c1-4-5-14-30-25(27)23-17(3)31-24-20-9-7-6-8-19(20)22(15-21(23)24)26-32(28,29)18-12-10-16(2)11-13-18/h6-13,15,26H,4-5,14H2,1-3H3

InChI Key

CIKJUFFYPWCOEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03470686

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.54

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

6.127

Distribution Coefficient, logD

6.116

Water Solubility, LogSw

-5.60

Polar Surface Area

69.147

Acid Dissociation Constant (pKa)

8.99

Base Dissociation Constant (pKb)

-8.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with 4456-0644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4456-0644?
Check Price and Availability of 4456-0644, 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 4456-0644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4456-0644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4456-0644
  • 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 4456-0644 available by request