1490-0067 Screening compound: ethyl 2-({2,2,2-trichloro-1-[(furan-2-yl)formamido]ethyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

1490-0067 Screening compound: ethyl 2-({2,2,2-trichloro-1-[(furan-2-yl)formamido]ethyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
1490-0067 Screening compound: ethyl 2-({2,2,2-trichloro-1-[(furan-2-yl)formamido]ethyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1490-0067
ethyl 2-({2,2,2-trichloro-1-[(furan-2-yl)formamido]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

1490-0067

Molecular Formula

C18H19Cl3N2O4S (C18 H19 Cl3 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(NC(C(Cl)(Cl)Cl)NC(c2ccco2)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C18H19Cl3N2O4S/c1-2-26-16(25)13-10-6-3-4-8-12(10)28-15(13)23-17(18(19,20)21)22-14(24)11-7-5-9-27-11/h5,7,9,17,23H,2-4,6,8H2,1H3,(H,22,24)/t17-/m0/s1

InChI Key

DRPWSMQQXIAGKA-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD00667518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.78

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.544

Distribution Coefficient, logD

4.160

Water Solubility, LogSw

-4.81

Polar Surface Area

62.497

Acid Dissociation Constant (pKa)

7.25

Base Dissociation Constant (pKb)

-7.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

1490-0067 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 1490-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1490-0067?
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What is the minimum amount of 1490-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1490-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1490-0067
  • 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 1490-0067 available by request