3643-2911 Screening compound: ethyl 2-(4-methoxybenzamido)-5-phenylthiophene-3-carboxylate

3643-2911 Screening compound: ethyl 2-(4-methoxybenzamido)-5-phenylthiophene-3-carboxylate
3643-2911 Screening compound: ethyl 2-(4-methoxybenzamido)-5-phenylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3643-2911
ethyl 2-(4-methoxybenzamido)-5-phenylthiophene-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

3643-2911

Molecular Formula

C21H19NO4S (C21 H19 NO4 S)

Compound Name

ethyl 2-(4-methoxybenzamido)-5-phenylthiophene-3-carboxylate

IUPAC name

ethyl 2-(4-methoxybenzamido)-5-phenylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c(cc2)ccc2OC)=O)sc(-c2ccccc2)c1)=O

InChI

InChI=1S/C21H19NO4S/c1-3-26-21(24)17-13-18(14-7-5-4-6-8-14)27-20(17)22-19(23)15-9-11-16(25-2)12-10-15/h4-13H,3H2,1-2H3,(H,22,23)

InChI Key

WJXCQZORJATLNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02332771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.018

Distribution Coefficient, logD

4.837

Water Solubility, LogSw

-4.67

Polar Surface Area

51.150

Acid Dissociation Constant (pKa)

7.69

Base Dissociation Constant (pKb)

-10.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

3643-2911 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anticancer Library (62698 compounds)

Human Receptors Annotated Library (5376 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3643-2911 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3643-2911?
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What is the minimum amount of 3643-2911 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3643-2911
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3643-2911
  • 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 3643-2911 available by request