4456-3518 Screening compound: methyl 5-(4-ethoxybenzenesulfonamido)-2-methylnaphtho[1,2-b]furan-3-carboxylate

4456-3518 Screening compound: methyl 5-(4-ethoxybenzenesulfonamido)-2-methylnaphtho[1,2-b]furan-3-carboxylate
4456-3518 Screening compound: methyl 5-(4-ethoxybenzenesulfonamido)-2-methylnaphtho[1,2-b]furan-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4456-3518
methyl 5-(4-ethoxybenzenesulfonamido)-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

4456-3518

Molecular Formula

C23H21NO6S (C23 H21 NO6 S)

Compound Name

methyl 5-(4-ethoxybenzenesulfonamido)-2-methylnaphtho[1,2-b]furan-3-carboxylate

IUPAC name

methyl 5-(4-ethoxybenzenesulfonamido)-2-methylnaphtho[12-b]furan-3-carboxylate

SMILES

CCOc(cc1)ccc1S(Nc(c1ccccc11)cc2c1oc(C)c2C(OC)=O)(=O)=O

InChI

InChI=1S/C23H21NO6S/c1-4-29-15-9-11-16(12-10-15)31(26,27)24-20-13-19-21(23(25)28-3)14(2)30-22(19)18-8-6-5-7-17(18)20/h5-13,24H,4H2,1-3H3

InChI Key

MAWAOGAOUVQLEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03193230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.49

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

4.706

Distribution Coefficient, logD

4.705

Water Solubility, LogSw

-4.69

Polar Surface Area

76.396

Acid Dissociation Constant (pKa)

9.99

Base Dissociation Constant (pKb)

-9.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

4456-3518 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

SH2 Library (10483 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 4456-3518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4456-3518?
Check Price and Availability of 4456-3518, 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 4456-3518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4456-3518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4456-3518
  • 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 4456-3518 available by request