1490-0334 Screening compound: ethyl 2-{[(2,2,2-trichloro-1-acetamidoethyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

1490-0334 Screening compound: ethyl 2-{[(2,2,2-trichloro-1-acetamidoethyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
1490-0334 Screening compound: ethyl 2-{[(2,2,2-trichloro-1-acetamidoethyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1490-0334
ethyl 2-{[(2,2,2-trichloro-1-acetamidoethyl)carbamothioyl]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

1490-0334

Molecular Formula

C16H20Cl3N3O3S2 (C16 H20 Cl3 N3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C16H20Cl3N3O3S2/c1-3-25-13(24)11-9-6-4-5-7-10(9)27-12(11)21-15(26)22-14(16(17,18)19)20-8(2)23/h14H,3-7H2,1-2H3,(H,20,23)(H2,21,22,26)/t14-/m0/s1

InChI Key

VZDUOPGEXKFTGZ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD00548695

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.84

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.767

Distribution Coefficient, logD

3.532

Water Solubility, LogSw

-4.60

Polar Surface Area

63.999

Acid Dissociation Constant (pKa)

7.54

Base Dissociation Constant (pKb)

-5.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.30

1490-0334 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 1490-0334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1490-0334?
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What is the minimum amount of 1490-0334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1490-0334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1490-0334
  • 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 1490-0334 available by request