E535-2950 Screening compound: ethyl 3-{5-[(4-chlorobenzenesulfinyl)methyl]furan-2-amido}benzoate

E535-2950 Screening compound: ethyl 3-{5-[(4-chlorobenzenesulfinyl)methyl]furan-2-amido}benzoate
E535-2950 Screening compound: ethyl 3-{5-[(4-chlorobenzenesulfinyl)methyl]furan-2-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E535-2950
ethyl 3-{5-[(4-chlorobenzenesulfinyl)methyl]furan-2-amido}benzoate

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

E535-2950

Molecular Formula

C21H18ClNO5S (C21 H18 ClNO5 S)

Compound Name

ethyl 3-{5-[(4-chlorobenzenesulfinyl)methyl]furan-2-amido}benzoate

IUPAC name

ethyl 3-{5-[(4-chlorobenzenesulfinyl)methyl]furan-2-amido}benzoate

SMILES

CCOC(c1cccc(NC(c2ccc(CS(c(cc3)ccc3Cl)=O)o2)=O)c1)=O

InChI

InChI=1S/C21H20ClNO5S/c1-2-27-21(25)14-4-3-5-16(12-14)23-20(24)19-11-8-17(28-19)13-29(26)18-9-6-15(22)7-10-18/h3-12H,2,13,29H2,1H3,(H,23,24)

InChI Key

MRVDVSOOBLKDNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14896655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.9

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.118

Distribution Coefficient, logD

5.118

Water Solubility, LogSw

-5.60

Polar Surface Area

67.065

Acid Dissociation Constant (pKa)

11.27

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

E535-2950 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E535-2950 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E535-2950?
Check Price and Availability of E535-2950, 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 E535-2950 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E535-2950
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E535-2950
  • 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 E535-2950 available by request