1630-0718 Screening compound: methyl 2-(2,2,2-trifluoroacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

1630-0718 Screening compound: methyl 2-(2,2,2-trifluoroacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
1630-0718 Screening compound: methyl 2-(2,2,2-trifluoroacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1630-0718
methyl 2-(2,2,2-trifluoroacetamido)-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

1630-0718

Molecular Formula

C12H12F3NO3S (C12 H12 F3 NO3 S)

Compound Name

methyl 2-(2,2,2-trifluoroacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

methyl 2-(222-trifluoroacetamido)-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

COC(c1c(NC(C(F)(F)F)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C12H12F3NO3S/c1-19-10(17)8-6-4-2-3-5-7(6)20-9(8)16-11(18)12(13,14)15/h2-5H2,1H3,(H,16,18)

InChI Key

AUBUTUXRWIGHTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00416258

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.019

Distribution Coefficient, logD

-3.073

Water Solubility, LogSw

-3.33

Polar Surface Area

44.490

Acid Dissociation Constant (pKa)

1.31

Base Dissociation Constant (pKb)

-7.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

1630-0718 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 1630-0718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1630-0718?
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What is the minimum amount of 1630-0718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1630-0718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1630-0718
  • 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 1630-0718 available by request