3331-4610 Screening compound: ethyl 2-(2,2-diphenylacetamido)-4,5-dimethylthiophene-3-carboxylate

3331-4610 Screening compound: ethyl 2-(2,2-diphenylacetamido)-4,5-dimethylthiophene-3-carboxylate
3331-4610 Screening compound: ethyl 2-(2,2-diphenylacetamido)-4,5-dimethylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3331-4610
ethyl 2-(2,2-diphenylacetamido)-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

3331-4610

Molecular Formula

C23H23NO3S (C23 H23 NO3 S)

Compound Name

ethyl 2-(2,2-diphenylacetamido)-4,5-dimethylthiophene-3-carboxylate

IUPAC name

ethyl 2-(22-diphenylacetamido)-45-dimethylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(C(c2ccccc2)c2ccccc2)=O)sc(C)c1C)=O

InChI

InChI=1S/C23H23NO3S/c1-4-27-23(26)19-15(2)16(3)28-22(19)24-21(25)20(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,20H,4H2,1-3H3,(H,24,25)

InChI Key

SHXBINFBSVMVKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01062680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.351

Distribution Coefficient, logD

1.686

Water Solubility, LogSw

-5.48

Polar Surface Area

43.606

Acid Dissociation Constant (pKa)

3.73

Base Dissociation Constant (pKb)

-3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

3331-4610 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3331-4610 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3331-4610?
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What is the minimum amount of 3331-4610 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3331-4610
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3331-4610
  • 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 3331-4610 available by request