8015-0359 Screening compound: ethyl 5-(diethylcarbamoyl)-2-[2-(4-methoxyphenoxy)acetamido]-4-methylthiophene-3-carboxylate

8015-0359 Screening compound: ethyl 5-(diethylcarbamoyl)-2-[2-(4-methoxyphenoxy)acetamido]-4-methylthiophene-3-carboxylate
8015-0359 Screening compound: ethyl 5-(diethylcarbamoyl)-2-[2-(4-methoxyphenoxy)acetamido]-4-methylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-0359
ethyl 5-(diethylcarbamoyl)-2-[2-(4-methoxyphenoxy)acetamido]-4-methylthiophene-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

8015-0359

Molecular Formula

C22H28N2O6S (C22 H28 N2 O6 S)

Compound Name

ethyl 5-(diethylcarbamoyl)-2-[2-(4-methoxyphenoxy)acetamido]-4-methylthiophene-3-carboxylate

IUPAC name

ethyl 5-(diethylcarbamoyl)-2-[2-(4-methoxyphenoxy)acetamido]-4-methylthiophene-3-carboxylate

SMILES

CCN(CC)C(c1c(C)c(C(OCC)=O)c(NC(COc(cc2)ccc2OC)=O)s1)=O

InChI

InChI=1S/C22H28N2O6S/c1-6-24(7-2)21(26)19-14(4)18(22(27)29-8-3)20(31-19)23-17(25)13-30-16-11-9-15(28-5)10-12-16/h9-12H,6-8,13H2,1-5H3,(H,23,25)

InChI Key

XVHHJWJMQUIINA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03854931

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.274

Distribution Coefficient, logD

1.676

Water Solubility, LogSw

-3.55

Polar Surface Area

74.639

Acid Dissociation Constant (pKa)

5.81

Base Dissociation Constant (pKb)

0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

8015-0359 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8015-0359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-0359?
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What is the minimum amount of 8015-0359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-0359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-0359
  • 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 8015-0359 available by request