1889-2879 Screening compound: ethyl 5-acetyl-2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enamido]-4-methylthiophene-3-carboxylate

1889-2879 Screening compound: ethyl 5-acetyl-2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enamido]-4-methylthiophene-3-carboxylate
1889-2879 Screening compound: ethyl 5-acetyl-2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enamido]-4-methylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1889-2879
ethyl 5-acetyl-2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enamido]-4-methylthiophene-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

1889-2879

Molecular Formula

C21H23NO6S (C21 H23 NO6 S)

Compound Name

ethyl 5-acetyl-2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enamido]-4-methylthiophene-3-carboxylate

IUPAC name

ethyl 5-acetyl-2-[(2E)-3-(34-dimethoxyphenyl)prop-2-enamido]-4-methylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(/C=C/c(cc2)cc(OC)c2OC)=O)sc(C(C)=O)c1C)=O

InChI

InChI=1S/C21H23NO6S/c1-6-28-21(25)18-12(2)19(13(3)23)29-20(18)22-17(24)10-8-14-7-9-15(26-4)16(11-14)27-5/h7-11H,6H2,1-5H3,(H,22,24)

InChI Key

RZOAXYDLCGWFRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01071538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.495

Distribution Coefficient, logD

0.769

Water Solubility, LogSw

-3.92

Polar Surface Area

72.752

Acid Dissociation Constant (pKa)

4.68

Base Dissociation Constant (pKb)

-4.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

1889-2879 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Frequent Hitters Library (7624 compounds)

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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
Structure:
  • Pool
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1889-2879 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1889-2879 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1889-2879
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1889-2879
  • 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 1889-2879 available by request