1309-1245 Screening compound: ethyl 2-{[2,2,2-trichloro-1-(2-fluoroacetamido)ethyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

1309-1245 Screening compound: ethyl 2-{[2,2,2-trichloro-1-(2-fluoroacetamido)ethyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
1309-1245 Screening compound: ethyl 2-{[2,2,2-trichloro-1-(2-fluoroacetamido)ethyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1309-1245
ethyl 2-{[2,2,2-trichloro-1-(2-fluoroacetamido)ethyl]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

1309-1245

Molecular Formula

C15H18Cl3FN2O3S (C15 H18 Cl3 FN2 O3 S)

Compound Name

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

IUPAC name

ethyl 2-{[222-trichloro-1-(2-fluoroacetamido)ethyl]amino}-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(C(Cl)(Cl)Cl)NC(CF)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C15H18Cl3FN2O3S/c1-2-24-13(23)11-8-5-3-4-6-9(8)25-12(11)21-14(15(16,17)18)20-10(22)7-19/h14,21H,2-7H2,1H3,(H,20,22)/t14-/m0/s1

InChI Key

GESPVUMLQRJYPK-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD00640459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.74

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

3.576

Distribution Coefficient, logD

3.358

Water Solubility, LogSw

-4.31

Polar Surface Area

53.976

Acid Dissociation Constant (pKa)

7.59

Base Dissociation Constant (pKb)

-6.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

1309-1245 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 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:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1309-1245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1309-1245?
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What is the minimum amount of 1309-1245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1309-1245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1309-1245
  • 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 1309-1245 available by request