2159-2745 Screening compound: ethyl 5-acetyl-2-[2-(2-chlorophenoxy)acetamido]-4-methylthiophene-3-carboxylate

2159-2745 Screening compound: ethyl 5-acetyl-2-[2-(2-chlorophenoxy)acetamido]-4-methylthiophene-3-carboxylate
2159-2745 Screening compound: ethyl 5-acetyl-2-[2-(2-chlorophenoxy)acetamido]-4-methylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2159-2745
ethyl 5-acetyl-2-[2-(2-chlorophenoxy)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

2159-2745

Molecular Formula

C18H18ClNO5S (C18 H18 ClNO5 S)

Compound Name

ethyl 5-acetyl-2-[2-(2-chlorophenoxy)acetamido]-4-methylthiophene-3-carboxylate

IUPAC name

ethyl 5-acetyl-2-[2-(2-chlorophenoxy)acetamido]-4-methylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(COc(cccc2)c2Cl)=O)sc(C(C)=O)c1C)=O

InChI

InChI=1S/C18H18ClNO5S/c1-4-24-18(23)15-10(2)16(11(3)21)26-17(15)20-14(22)9-25-13-8-6-5-7-12(13)19/h5-8H,4,9H2,1-3H3,(H,20,22)

InChI Key

KSVYWRWXXSINOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01183856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.86

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.407

Distribution Coefficient, logD

0.675

Water Solubility, LogSw

-3.90

Polar Surface Area

65.077

Acid Dissociation Constant (pKa)

4.67

Base Dissociation Constant (pKb)

-8.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with 2159-2745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2159-2745?
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What is the minimum amount of 2159-2745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2159-2745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2159-2745
  • 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 2159-2745 available by request