C153-0091 Screening compound: 2-[5-(azepane-1-sulfonyl)-3-methyl-1-benzofuran-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline

C153-0091 Screening compound: 2-[5-(azepane-1-sulfonyl)-3-methyl-1-benzofuran-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline
C153-0091 Screening compound: 2-[5-(azepane-1-sulfonyl)-3-methyl-1-benzofuran-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound C153-0091
2-[5-(azepane-1-sulfonyl)-3-methyl-1-benzofuran-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline

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

C153-0091

Molecular Formula

C25H28N2O4S (C25 H28 N2 O4 S)

Compound Name

2-[5-(azepane-1-sulfonyl)-3-methyl-1-benzofuran-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-[5-(azepane-1-sulfonyl)-3-methyl-1-benzofuran-2-carbonyl]-1234-tetrahydroisoquinoline

SMILES

Cc1c(C(N(CC2)Cc3c2cccc3)=O)oc(cc2)c1cc2S(N1CCCCCC1)(=O)=O

InChI

InChI=1S/C25H28N2O4S/c1-18-22-16-21(32(29,30)27-13-6-2-3-7-14-27)10-11-23(22)31-24(18)25(28)26-15-12-19-8-4-5-9-20(19)17-26/h4-5,8-11,16H,2-3,6-7,12-15,17H2,1H3

InChI Key

FVDNMAPPDSKXKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05031617

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.972

Distribution Coefficient, logD

4.972

Water Solubility, LogSw

-4.64

Polar Surface Area

57.116

Acid Dissociation Constant (pKa)

26.00

Base Dissociation Constant (pKb)

-1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C153-0091 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS targets activity set (6557 compounds)

GPCR Targeted Library (31838 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C153-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C153-0091?
Check Price and Availability of C153-0091, 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 C153-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C153-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C153-0091
  • 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 C153-0091 available by request