C153-0383 Screening compound: 1-{5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-3-methyl-1-benzofuran-2-carbonyl}azepane

C153-0383 Screening compound: 1-{5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-3-methyl-1-benzofuran-2-carbonyl}azepane
C153-0383 Screening compound: 1-{5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-3-methyl-1-benzofuran-2-carbonyl}azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound C153-0383
1-{5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-3-methyl-1-benzofuran-2-carbonyl}azepane

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

C153-0383

Molecular Formula

C23H32N2O4S (C23 H32 N2 O4 S)

Compound Name

1-{5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-3-methyl-1-benzofuran-2-carbonyl}azepane

IUPAC name

1-{5-[(35-dimethylpiperidin-1-yl)sulfonyl]-3-methyl-1-benzofuran-2-carbonyl}azepane

SMILES

CC(CC(C)C1)CN1S(c(cc1)cc2c1oc(C(N1CCCCCC1)=O)c2C)(=O)=O

InChI

InChI=1S/C23H32N2O4S/c1-16-12-17(2)15-25(14-16)30(27,28)19-8-9-21-20(13-19)18(3)22(29-21)23(26)24-10-6-4-5-7-11-24/h8-9,13,16-17H,4-7,10-12,14-15H2,1-3H3

InChI Key

QNVCPMXPXAEENP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05029252

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.58

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

5.062

Distribution Coefficient, logD

5.062

Water Solubility, LogSw

-4.68

Polar Surface Area

57.321

Acid Dissociation Constant (pKa)

25.38

Base Dissociation Constant (pKb)

5.20

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

60.90

C153-0383 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS Annotated Library (688 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)

MCE-18 Trends in Medicinal Chemistry (51288 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 C153-0383 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C153-0383?
Check Price and Availability of C153-0383, 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 C153-0383 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C153-0383
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C153-0383
  • 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 C153-0383 available by request