Y070-1394 Screening compound: N-[(oxolan-2-yl)methyl]-2-[(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Y070-1394 Screening compound: N-[(oxolan-2-yl)methyl]-2-[(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Y070-1394 Screening compound: N-[(oxolan-2-yl)methyl]-2-[(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-1394
N-[(oxolan-2-yl)methyl]-2-[(2E)-3-[4-(propan-2-yl)phenyl]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

Y070-1394

Molecular Formula

C26H32N2O3S (C26 H32 N2 O3 S)

Compound Name

N-[(oxolan-2-yl)methyl]-2-[(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

N-[(oxolan-2-yl)methyl]-2-[(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enamido]-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

CC(C)c1ccc(/C=C/C(Nc2c(C(NCC3OCCC3)=O)c(CCCC3)c3s2)=O)cc1

InChI

InChI=1S/C26H32N2O3S/c1-17(2)19-12-9-18(10-13-19)11-14-23(29)28-26-24(21-7-3-4-8-22(21)32-26)25(30)27-16-20-6-5-15-31-20/h9-14,17,20H,3-8,15-16H2,1-2H3,(H,27,30)(H,28,29)/t20-/m1/s1

InChI Key

TWVHVQULIGBXJJ-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD03464125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.254

Distribution Coefficient, logD

4.524

Water Solubility, LogSw

-5.15

Polar Surface Area

55.899

Acid Dissociation Constant (pKa)

6.76

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

Y070-1394 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 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
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with Y070-1394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-1394?
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What is the minimum amount of Y070-1394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-1394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-1394
  • 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 Y070-1394 available by request