Y070-4013 Screening compound: 6-(tert-butyl)-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-[(2-thienylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Y070-4013 Screening compound: 6-(tert-butyl)-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-[(2-thienylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Y070-4013 Screening compound: 6-(tert-butyl)-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-[(2-thienylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-4013
6-(tert-butyl)-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-[(2-thienylcarbonyl)amino]-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

Y070-4013

Molecular Formula

C22H28N2O4S3 (C22 H28 N2 O4 S3)

Compound Name

6-(tert-butyl)-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-[(2-thienylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

6-tert-butyl-N-(11-dioxo-1lambda6-thiolan-3-yl)-2-(thiophene-2-amido)-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

CC(C)(C)C(CC1)Cc2c1c(C(NC(CC1)CS1(=O)=O)=O)c(NC(c1cccs1)=O)s2

InChI

InChI=1S/C22H28N2O4S3/c1-22(2,3)13-6-7-15-17(11-13)30-21(24-19(25)16-5-4-9-29-16)18(15)20(26)23-14-8-10-31(27,28)12-14/h4-5,9,13-14H,6-8,10-12H2,1-3H3,(H,23,26)(H,24,25)

InChI Key

VBXSEMJNBAXXOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04195813

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.67

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.683

Distribution Coefficient, logD

2.453

Water Solubility, LogSw

-4.18

Polar Surface Area

76.639

Acid Dissociation Constant (pKa)

6.20

Base Dissociation Constant (pKb)

-5.21

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

54.50

Y070-4013 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 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 Y070-4013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-4013?
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What is the minimum amount of Y070-4013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-4013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-4013
  • 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 Y070-4013 available by request