Y070-4506 Screening compound: N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-{[(E)-3-(2-furyl)-2-propenoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Y070-4506 Screening compound: N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-{[(E)-3-(2-furyl)-2-propenoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Y070-4506 Screening compound: N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-{[(E)-3-(2-furyl)-2-propenoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-4506
N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-{[(E)-3-(2-furyl)-2-propenoyl]amino}-6-methyl-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

Y070-4506

Molecular Formula

C21H24N2O5S2 (C21 H24 N2 O5 S2)

Compound Name

N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-{[(E)-3-(2-furyl)-2-propenoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-2-[(2E)-3-(furan-2-yl)prop-2-enamido]-6-methyl-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

CC(CC1)Cc2c1c(C(NC(CC1)CS1(=O)=O)=O)c(NC(/C=C/c1ccco1)=O)s2

InChI

InChI=1S/C21H24N2O5S2/c1-13-4-6-16-17(11-13)29-21(23-18(24)7-5-15-3-2-9-28-15)19(16)20(25)22-14-8-10-30(26,27)12-14/h2-3,5,7,9,13-14H,4,6,8,10-12H2,1H3,(H,22,25)(H,23,24)

InChI Key

MVSHWIZXPZMQLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04169199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.576

Distribution Coefficient, logD

1.831

Water Solubility, LogSw

-2.95

Polar Surface Area

83.156

Acid Dissociation Constant (pKa)

6.74

Base Dissociation Constant (pKb)

-1.91

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.90

Y070-4506 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with Y070-4506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-4506?
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What is the minimum amount of Y070-4506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-4506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-4506
  • 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 Y070-4506 available by request