1683-6494 Screening compound: 2,4-diethyl 3-methyl-5-[2-(4-methylphenoxy)acetamido]thiophene-2,4-dicarboxylate

1683-6494 Screening compound: 2,4-diethyl 3-methyl-5-[2-(4-methylphenoxy)acetamido]thiophene-2,4-dicarboxylate
1683-6494 Screening compound: 2,4-diethyl 3-methyl-5-[2-(4-methylphenoxy)acetamido]thiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1683-6494
2,4-diethyl 3-methyl-5-[2-(4-methylphenoxy)acetamido]thiophene-2,4-dicarboxylate

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

1683-6494

Molecular Formula

C20H23NO6S (C20 H23 NO6 S)

Compound Name

2,4-diethyl 3-methyl-5-[2-(4-methylphenoxy)acetamido]thiophene-2,4-dicarboxylate

IUPAC name

24-diethyl 3-methyl-5-[2-(4-methylphenoxy)acetamido]thiophene-24-dicarboxylate

SMILES

CCOC(c1c(NC(COc2ccc(C)cc2)=O)sc(C(OCC)=O)c1C)=O

InChI

InChI=1S/C20H23NO6S/c1-5-25-19(23)16-13(4)17(20(24)26-6-2)28-18(16)21-15(22)11-27-14-9-7-12(3)8-10-14/h7-10H,5-6,11H2,1-4H3,(H,21,22)

InChI Key

DIPJMYPOUAJHMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00706723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.038

Distribution Coefficient, logD

2.034

Water Solubility, LogSw

-4.14

Polar Surface Area

71.917

Acid Dissociation Constant (pKa)

5.40

Base Dissociation Constant (pKb)

-7.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

1683-6494 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 1683-6494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1683-6494?
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What is the minimum amount of 1683-6494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1683-6494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1683-6494
  • 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 1683-6494 available by request