8011-9190 Screening compound: ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-pentanamidopropanoate

8011-9190 Screening compound: ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-pentanamidopropanoate
8011-9190 Screening compound: ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-pentanamidopropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-9190
ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-pentanamidopropanoate

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

8011-9190

Molecular Formula

C19H26F3N3O4S (C19 H26 F3 N3 O4 S)

Compound Name

ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-pentanamidopropanoate

IUPAC name

ethyl 2-[(3-carbamoyl-4567-tetrahydro-1-benzothiophen-2-yl)amino]-333-trifluoro-2-pentanamidopropanoate

SMILES

CCCCC(NC(C(F)(F)F)(C(OCC)=O)Nc1c(C(N)=O)c(CCCC2)c2s1)=O

InChI

InChI=1S/C19H26F3N3O4S/c1-3-5-10-13(26)24-18(19(20,21)22,17(28)29-4-2)25-16-14(15(23)27)11-8-6-7-9-12(11)30-16/h25H,3-10H2,1-2H3,(H2,23,27)(H,24,26)/t18-/m1/s1

InChI Key

OQKARIMHVKBIOW-GOSISDBHSA-N

MDL Number (MFCD)

MFCD02933399

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.783

Distribution Coefficient, logD

2.524

Water Solubility, LogSw

-3.11

Polar Surface Area

88.112

Acid Dissociation Constant (pKa)

7.49

Base Dissociation Constant (pKb)

-0.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.20

8011-9190 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8011-9190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-9190?
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What is the minimum amount of 8011-9190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-9190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-9190
  • 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 8011-9190 available by request