3616-1016 Screening compound: 3-chloro-N-[4-(diethylamino)phenyl]-1-benzothiophene-2-carboxamide

3616-1016 Screening compound: 3-chloro-N-[4-(diethylamino)phenyl]-1-benzothiophene-2-carboxamide
3616-1016 Screening compound: 3-chloro-N-[4-(diethylamino)phenyl]-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3616-1016
3-chloro-N-[4-(diethylamino)phenyl]-1-benzothiophene-2-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

3616-1016

Molecular Formula

C19H19ClN2OS (C19 H19 ClN2 OS)

Compound Name

3-chloro-N-[4-(diethylamino)phenyl]-1-benzothiophene-2-carboxamide

IUPAC name

3-chloro-N-[4-(diethylamino)phenyl]-1-benzothiophene-2-carboxamide

SMILES

CCN(CC)c(cc1)ccc1NC(c(sc1c2cccc1)c2Cl)=O

InChI

InChI=1S/C19H19ClN2OS/c1-3-22(4-2)14-11-9-13(10-12-14)21-19(23)18-17(20)15-7-5-6-8-16(15)24-18/h5-12H,3-4H2,1-2H3,(H,21,23)

InChI Key

IDSCEGKBCISXLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02615144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.89

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.482

Distribution Coefficient, logD

5.290

Water Solubility, LogSw

-5.81

Polar Surface Area

26.813

Acid Dissociation Constant (pKa)

10.80

Base Dissociation Constant (pKb)

7.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

3616-1016 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 3616-1016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3616-1016?
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What is the minimum amount of 3616-1016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3616-1016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3616-1016
  • 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 3616-1016 available by request