8014-0897 Screening compound: ethyl 5-(cyclopentylcarbamoyl)-2-[2-(2,4-dichlorophenoxy)acetamido]-4-methylthiophene-3-carboxylate

8014-0897 Screening compound: ethyl 5-(cyclopentylcarbamoyl)-2-[2-(2,4-dichlorophenoxy)acetamido]-4-methylthiophene-3-carboxylate
8014-0897 Screening compound: ethyl 5-(cyclopentylcarbamoyl)-2-[2-(2,4-dichlorophenoxy)acetamido]-4-methylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-0897
ethyl 5-(cyclopentylcarbamoyl)-2-[2-(2,4-dichlorophenoxy)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

8014-0897

Molecular Formula

C22H24Cl2N2O5S (C22 H24 Cl2 N2 O5 S)

Compound Name

ethyl 5-(cyclopentylcarbamoyl)-2-[2-(2,4-dichlorophenoxy)acetamido]-4-methylthiophene-3-carboxylate

IUPAC name

ethyl 5-(cyclopentylcarbamoyl)-2-[2-(24-dichlorophenoxy)acetamido]-4-methylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(COc(ccc(Cl)c2)c2Cl)=O)sc(C(NC2CCCC2)=O)c1C)=O

InChI

InChI=1S/C22H24Cl2N2O5S/c1-3-30-22(29)18-12(2)19(20(28)25-14-6-4-5-7-14)32-21(18)26-17(27)11-31-16-9-8-13(23)10-15(16)24/h8-10,14H,3-7,11H2,1-2H3,(H,25,28)(H,26,27)

InChI Key

XDRSPPCBNLZVDF-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.966

Distribution Coefficient, logD

2.657

Water Solubility, LogSw

-5.34

Polar Surface Area

75.755

Acid Dissociation Constant (pKa)

5.09

Base Dissociation Constant (pKb)

3.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with 8014-0897 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-0897?
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What is the minimum amount of 8014-0897 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-0897
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-0897
  • 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 8014-0897 available by request