1889-2892 Screening compound: 2-[(2E)-3-(4-methoxyphenyl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

1889-2892 Screening compound: 2-[(2E)-3-(4-methoxyphenyl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
1889-2892 Screening compound: 2-[(2E)-3-(4-methoxyphenyl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1889-2892
2-[(2E)-3-(4-methoxyphenyl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

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

1889-2892

Molecular Formula

C19H20N2O3S (C19 H20 N2 O3 S)

Compound Name

2-[(2E)-3-(4-methoxyphenyl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

2-[(2E)-3-(4-methoxyphenyl)prop-2-enamido]-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

COc1ccc(/C=C/C(Nc2c(C(N)=O)c(CCCC3)c3s2)=O)cc1

InChI

InChI=1S/C19H20N2O3S/c1-24-13-9-6-12(7-10-13)8-11-16(22)21-19-17(18(20)23)14-4-2-3-5-15(14)25-19/h6-11H,2-5H2,1H3,(H2,20,23)(H,21,22)

InChI Key

VLLBWVYPRXIQAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01071545

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.761

Distribution Coefficient, logD

2.406

Water Solubility, LogSw

-3.30

Polar Surface Area

64.434

Acid Dissociation Constant (pKa)

7.30

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

1889-2892 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

KRAS-Targeted Library (16000 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1889-2892 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1889-2892 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1889-2892
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1889-2892
  • 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 1889-2892 available by request