1889-2891 Screening compound: 2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

1889-2891 Screening compound: 2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
1889-2891 Screening compound: 2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1889-2891
2-[(2E)-3-(3,4-dimethoxyphenyl)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

1889-2891

Molecular Formula

C20H22N2O4S (C20 H22 N2 O4 S)

Compound Name

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

IUPAC name

2-[(2E)-3-(34-dimethoxyphenyl)prop-2-enamido]-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

COc(ccc(/C=C/C(Nc1c(C(N)=O)c(CCCC2)c2s1)=O)c1)c1OC

InChI

InChI=1S/C20H22N2O4S/c1-25-14-9-7-12(11-15(14)26-2)8-10-17(23)22-20-18(19(21)24)13-5-3-4-6-16(13)27-20/h7-11H,3-6H2,1-2H3,(H2,21,24)(H,22,23)

InChI Key

JYCSUZZTVRYVRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01071544

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.485

Distribution Coefficient, logD

2.129

Water Solubility, LogSw

-3.05

Polar Surface Area

72.151

Acid Dissociation Constant (pKa)

7.30

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

1889-2891 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 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
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1889-2891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1889-2891?
Check Price and Availability of 1889-2891, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1889-2891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1889-2891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1889-2891
  • 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 1889-2891 available by request