4487-0060 Screening compound: methyl 2-[2-(4-chlorophenoxy)acetamido]-4,5-dimethylthiophene-3-carboxylate

4487-0060 Screening compound: methyl 2-[2-(4-chlorophenoxy)acetamido]-4,5-dimethylthiophene-3-carboxylate
4487-0060 Screening compound: methyl 2-[2-(4-chlorophenoxy)acetamido]-4,5-dimethylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4487-0060
methyl 2-[2-(4-chlorophenoxy)acetamido]-4,5-dimethylthiophene-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

4487-0060

Molecular Formula

C16H16ClNO4S (C16 H16 ClNO4 S)

Compound Name

methyl 2-[2-(4-chlorophenoxy)acetamido]-4,5-dimethylthiophene-3-carboxylate

IUPAC name

methyl 2-[2-(4-chlorophenoxy)acetamido]-45-dimethylthiophene-3-carboxylate

SMILES

Cc1c(C)sc(NC(COc(cc2)ccc2Cl)=O)c1C(OC)=O

InChI

InChI=1S/C16H16ClNO4S/c1-9-10(2)23-15(14(9)16(20)21-3)18-13(19)8-22-12-6-4-11(17)5-7-12/h4-7H,8H2,1-3H3,(H,18,19)

InChI Key

SRXDLYJKSRQSSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01336628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.83

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.902

Distribution Coefficient, logD

1.679

Water Solubility, LogSw

-4.75

Polar Surface Area

51.584

Acid Dissociation Constant (pKa)

5.18

Base Dissociation Constant (pKb)

-3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4487-0060 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 4487-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4487-0060?
Check Price and Availability of 4487-0060, 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 4487-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4487-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4487-0060
  • 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 4487-0060 available by request