3461-3014 Screening compound: ethyl 5-[N-(4-ethylbenzenesulfonyl)benzamido]-2-methyl-1-benzofuran-3-carboxylate

3461-3014 Screening compound: ethyl 5-[N-(4-ethylbenzenesulfonyl)benzamido]-2-methyl-1-benzofuran-3-carboxylate
3461-3014 Screening compound: ethyl 5-[N-(4-ethylbenzenesulfonyl)benzamido]-2-methyl-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3461-3014
ethyl 5-[N-(4-ethylbenzenesulfonyl)benzamido]-2-methyl-1-benzofuran-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

3461-3014

Molecular Formula

C27H25NO6S (C27 H25 NO6 S)

Compound Name

ethyl 5-[N-(4-ethylbenzenesulfonyl)benzamido]-2-methyl-1-benzofuran-3-carboxylate

IUPAC name

ethyl 5-[N-(4-ethylbenzenesulfonyl)benzamido]-2-methyl-1-benzofuran-3-carboxylate

SMILES

CCc(cc1)ccc1S(N(C(c1ccccc1)=O)c(cc1)cc2c1oc(C)c2C(OCC)=O)(=O)=O

InChI

InChI=1S/C27H25NO6S/c1-4-19-11-14-22(15-12-19)35(31,32)28(26(29)20-9-7-6-8-10-20)21-13-16-24-23(17-21)25(18(3)34-24)27(30)33-5-2/h6-17H,4-5H2,1-3H3

InChI Key

ONMQQZKPZIDSIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02345702

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.683

Distribution Coefficient, logD

5.683

Water Solubility, LogSw

-5.57

Polar Surface Area

74.247

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

-16.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with 3461-3014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3461-3014?
Check Price and Availability of 3461-3014, 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 3461-3014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3461-3014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3461-3014
  • 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 3461-3014 available by request