Y032-2129 Screening compound: ethyl 2-{[(E)-3-(3,4,5-trimethoxyphenyl)-2-propenoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Y032-2129 Screening compound: ethyl 2-{[(E)-3-(3,4,5-trimethoxyphenyl)-2-propenoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Y032-2129 Screening compound: ethyl 2-{[(E)-3-(3,4,5-trimethoxyphenyl)-2-propenoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-2129
ethyl 2-{[(E)-3-(3,4,5-trimethoxyphenyl)-2-propenoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-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

Y032-2129

Molecular Formula

C23H27NO6S (C23 H27 NO6 S)

Compound Name

ethyl 2-{[(E)-3-(3,4,5-trimethoxyphenyl)-2-propenoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-[(2E)-3-(345-trimethoxyphenyl)prop-2-enamido]-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(/C=C/c(cc2OC)cc(OC)c2OC)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C23H27NO6S/c1-5-30-23(26)20-15-8-6-7-9-18(15)31-22(20)24-19(25)11-10-14-12-16(27-2)21(29-4)17(13-14)28-3/h10-13H,5-9H2,1-4H3,(H,24,25)

InChI Key

IJZGQZDLLGZWDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02978981

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.468

Distribution Coefficient, logD

2.292

Water Solubility, LogSw

-4.38

Polar Surface Area

66.563

Acid Dissociation Constant (pKa)

5.23

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.13

Y032-2129 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y032-2129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-2129?
Check Price and Availability of Y032-2129, 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 Y032-2129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-2129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-2129
  • 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 Y032-2129 available by request