3297-0918 Screening compound: ethyl 2-[(2E)-3-[3-methoxy-4-(pentyloxy)phenyl]prop-2-enamido]-4,5-dimethylthiophene-3-carboxylate

3297-0918 Screening compound: ethyl 2-[(2E)-3-[3-methoxy-4-(pentyloxy)phenyl]prop-2-enamido]-4,5-dimethylthiophene-3-carboxylate
3297-0918 Screening compound: ethyl 2-[(2E)-3-[3-methoxy-4-(pentyloxy)phenyl]prop-2-enamido]-4,5-dimethylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3297-0918
ethyl 2-[(2E)-3-[3-methoxy-4-(pentyloxy)phenyl]prop-2-enamido]-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

3297-0918

Molecular Formula

C24H31NO5S (C24 H31 NO5 S)

Compound Name

ethyl 2-[(2E)-3-[3-methoxy-4-(pentyloxy)phenyl]prop-2-enamido]-4,5-dimethylthiophene-3-carboxylate

IUPAC name

ethyl 2-[(2E)-3-[3-methoxy-4-(pentyloxy)phenyl]prop-2-enamido]-45-dimethylthiophene-3-carboxylate

SMILES

CCCCCOc(ccc(/C=C/C(Nc1c(C(OCC)=O)c(C)c(C)s1)=O)c1)c1OC

InChI

InChI=1S/C24H31NO5S/c1-6-8-9-14-30-19-12-10-18(15-20(19)28-5)11-13-21(26)25-23-22(24(27)29-7-2)16(3)17(4)31-23/h10-13,15H,6-9,14H2,1-5H3,(H,25,26)

InChI Key

VXJXBTICVNJXIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02080822

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.218

Distribution Coefficient, logD

4.000

Water Solubility, LogSw

-5.34

Polar Surface Area

58.799

Acid Dissociation Constant (pKa)

5.19

Base Dissociation Constant (pKb)

-1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

3297-0918 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiviral Annotated Library (21441 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

KRAS-Targeted Library (16000 compounds)

Selective Target Activity Profiling Library (14702 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
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3297-0918 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3297-0918?
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What is the minimum amount of 3297-0918 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3297-0918
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3297-0918
  • 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 3297-0918 available by request