2551-0105 Screening compound: N~1~-(4-chloro-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-4-methyl-1-benzenesulfonamide

2551-0105 Screening compound: N~1~-(4-chloro-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-4-methyl-1-benzenesulfonamide
2551-0105 Screening compound: N~1~-(4-chloro-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-4-methyl-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2551-0105
N~1~-(4-chloro-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-4-methyl-1-benzenesulfonamide

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

2551-0105

Molecular Formula

C19H18ClNO3S (C19 H18 ClNO3 S)

Compound Name

N~1~-(4-chloro-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-4-methyl-1-benzenesulfonamide

IUPAC name

N-{6-chloro-8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-4-yl}-4-methylbenzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(Nc1cc(Cl)c2oc(CCCC3)c3c2c1)(=O)=O

InChI

InChI=1S/C19H18ClNO3S/c1-12-6-8-14(9-7-12)25(22,23)21-13-10-16-15-4-2-3-5-18(15)24-19(16)17(20)11-13/h6-11,21H,2-5H2,1H3

InChI Key

BVUJXJWSTHARDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00682742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.88

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.189

Distribution Coefficient, logD

4.106

Water Solubility, LogSw

-5.66

Polar Surface Area

49.237

Acid Dissociation Constant (pKa)

6.35

Base Dissociation Constant (pKb)

-10.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

2551-0105 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS targets activity set (6557 compounds)

GPCR Targeted Library (31838 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 2551-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2551-0105?
Check Price and Availability of 2551-0105, 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 2551-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2551-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2551-0105
  • 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 2551-0105 available by request