3297-1189 Screening compound: methyl 2-[(2E)-3-[4-(hexyloxy)-3-methoxyphenyl]prop-2-enamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

3297-1189 Screening compound: methyl 2-[(2E)-3-[4-(hexyloxy)-3-methoxyphenyl]prop-2-enamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
3297-1189 Screening compound: methyl 2-[(2E)-3-[4-(hexyloxy)-3-methoxyphenyl]prop-2-enamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3297-1189
methyl 2-[(2E)-3-[4-(hexyloxy)-3-methoxyphenyl]prop-2-enamido]-4H,5H,6H-cyclopenta[b]thiophene-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

3297-1189

Molecular Formula

C25H31NO5S (C25 H31 NO5 S)

Compound Name

methyl 2-[(2E)-3-[4-(hexyloxy)-3-methoxyphenyl]prop-2-enamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

IUPAC name

methyl 2-[(2E)-3-[4-(hexyloxy)-3-methoxyphenyl]prop-2-enamido]-4H5H6H-cyclopenta[b]thiophene-3-carboxylate

SMILES

CCCCCCOc(ccc(/C=C/C(Nc1c(C(OC)=O)c(CCC2)c2s1)=O)c1)c1OC

InChI

InChI=1S/C25H31NO5S/c1-4-5-6-7-15-31-19-13-11-17(16-20(19)29-2)12-14-22(27)26-24-23(25(28)30-3)18-9-8-10-21(18)32-24/h11-14,16H,4-10,15H2,1-3H3,(H,26,27)

InChI Key

YYHCSQGYQGVJLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02081396

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.59

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

6.379

Distribution Coefficient, logD

4.182

Water Solubility, LogSw

-5.47

Polar Surface Area

59.506

Acid Dissociation Constant (pKa)

5.21

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

3297-1189 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiviral Annotated Library (21441 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
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3297-1189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3297-1189?
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What is the minimum amount of 3297-1189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3297-1189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3297-1189
  • 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 3297-1189 available by request