E535-6273 Screening compound: 5-{[(2-chlorophenyl)methanesulfinyl]methyl}-N-[2-(thiophen-2-yl)ethyl]furan-2-carboxamide

E535-6273 Screening compound: 5-{[(2-chlorophenyl)methanesulfinyl]methyl}-N-[2-(thiophen-2-yl)ethyl]furan-2-carboxamide
E535-6273 Screening compound: 5-{[(2-chlorophenyl)methanesulfinyl]methyl}-N-[2-(thiophen-2-yl)ethyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E535-6273
5-{[(2-chlorophenyl)methanesulfinyl]methyl}-N-[2-(thiophen-2-yl)ethyl]furan-2-carboxamide

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

E535-6273

Molecular Formula

C19H18ClNO3S2 (C19 H18 ClNO3 S2)

Compound Name

5-{[(2-chlorophenyl)methanesulfinyl]methyl}-N-[2-(thiophen-2-yl)ethyl]furan-2-carboxamide

IUPAC name

5-{[(2-chlorophenyl)methanesulfinyl]methyl}-N-[2-(thiophen-2-yl)ethyl]furan-2-carboxamide

SMILES

O=C(c1ccc(CS(Cc(cccc2)c2Cl)=O)o1)NCCc1cccs1

InChI

InChI=1S/C19H20ClNO3S2/c20-17-6-2-1-4-14(17)12-26(23)13-15-7-8-18(24-15)19(22)21-10-9-16-5-3-11-25-16/h1-8,11H,9-10,12-13,26H2,(H,21,22)

InChI Key

APXWCQBZZQMNSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14896923

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.795

Distribution Coefficient, logD

3.795

Water Solubility, LogSw

-4.17

Polar Surface Area

48.125

Acid Dissociation Constant (pKa)

13.84

Base Dissociation Constant (pKb)

-1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

E535-6273 in Drug Discovery

Included in Screening Libraries

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

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E535-6273 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E535-6273?
Check Price and Availability of E535-6273, 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 E535-6273 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E535-6273
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E535-6273
  • 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 E535-6273 available by request