E535-1729 Screening compound: N-[2-(2,4-dimethoxyphenyl)ethyl]-5-[(2-methylbenzenesulfinyl)methyl]furan-2-carboxamide

E535-1729 Screening compound: N-[2-(2,4-dimethoxyphenyl)ethyl]-5-[(2-methylbenzenesulfinyl)methyl]furan-2-carboxamide
E535-1729 Screening compound: N-[2-(2,4-dimethoxyphenyl)ethyl]-5-[(2-methylbenzenesulfinyl)methyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E535-1729
N-[2-(2,4-dimethoxyphenyl)ethyl]-5-[(2-methylbenzenesulfinyl)methyl]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

E535-1729

Molecular Formula

C23H25NO5S (C23 H25 NO5 S)

Compound Name

N-[2-(2,4-dimethoxyphenyl)ethyl]-5-[(2-methylbenzenesulfinyl)methyl]furan-2-carboxamide

IUPAC name

N-[2-(24-dimethoxyphenyl)ethyl]-5-[(2-methylbenzenesulfinyl)methyl]furan-2-carboxamide

SMILES

Cc(cccc1)c1S(Cc1ccc(C(NCCc(ccc(OC)c2)c2OC)=O)o1)=O

InChI

InChI=1S/C23H27NO5S/c1-16-6-4-5-7-22(16)30(26)15-19-10-11-20(29-19)23(25)24-13-12-17-8-9-18(27-2)14-21(17)28-3/h4-11,14H,12-13,15,30H2,1-3H3,(H,24,25)

InChI Key

HVDMLSFPGFQHQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14896520

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.665

Distribution Coefficient, logD

3.665

Water Solubility, LogSw

-3.92

Polar Surface Area

62.649

Acid Dissociation Constant (pKa)

13.70

Base Dissociation Constant (pKb)

0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

E535-1729 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E535-1729 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E535-1729?
Check Price and Availability of E535-1729, 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 E535-1729 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E535-1729
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E535-1729
  • 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 E535-1729 available by request