4491-0116 Screening compound: 2-(4-bromobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

4491-0116 Screening compound: 2-(4-bromobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
4491-0116 Screening compound: 2-(4-bromobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4491-0116
2-(4-bromobenzamido)-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

4491-0116

Molecular Formula

C16H15BrN2O2S (C16 H15 BrN2 O2 S)

Compound Name

2-(4-bromobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

2-(4-bromobenzamido)-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

NC(c1c(NC(c(cc2)ccc2Br)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C16H15BrN2O2S/c17-10-7-5-9(6-8-10)15(21)19-16-13(14(18)20)11-3-1-2-4-12(11)22-16/h5-8H,1-4H2,(H2,18,20)(H,19,21)

InChI Key

QJRNDHDYUZGXKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00703859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.828

Distribution Coefficient, logD

0.323

Water Solubility, LogSw

-3.48

Polar Surface Area

57.103

Acid Dissociation Constant (pKa)

4.90

Base Dissociation Constant (pKb)

-2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4491-0116 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4491-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4491-0116?
Check Price and Availability of 4491-0116, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4491-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4491-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4491-0116
  • 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 4491-0116 available by request