1683-3392 Screening compound: 2-({[(4-methylphenyl)formamido]methanethioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

1683-3392 Screening compound: 2-({[(4-methylphenyl)formamido]methanethioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
1683-3392 Screening compound: 2-({[(4-methylphenyl)formamido]methanethioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1683-3392
2-({[(4-methylphenyl)formamido]methanethioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

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

1683-3392

Molecular Formula

C18H19N3O2S2 (C18 H19 N3 O2 S2)

Compound Name

2-({[(4-methylphenyl)formamido]methanethioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

2-({[(4-methylphenyl)formamido]methanethioyl}amino)-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

Cc(cc1)ccc1C(NC(Nc1c(C(N)=O)c(CCCC2)c2s1)=S)=O

InChI

InChI=1S/C18H19N3O2S2/c1-10-6-8-11(9-7-10)16(23)20-18(24)21-17-14(15(19)22)12-4-2-3-5-13(12)25-17/h6-9H,2-5H2,1H3,(H2,19,22)(H2,20,21,23,24)

InChI Key

TWMFAFFPJQXKNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00729608

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.865

Distribution Coefficient, logD

2.676

Water Solubility, LogSw

-3.52

Polar Surface Area

67.014

Acid Dissociation Constant (pKa)

7.66

Base Dissociation Constant (pKb)

-1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

1683-3392 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1683-3392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1683-3392?
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What is the minimum amount of 1683-3392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1683-3392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1683-3392
  • 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 1683-3392 available by request