C153-0380 Screening compound: N-benzyl-5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-N,3-dimethyl-1-benzofuran-2-carboxamide

C153-0380 Screening compound: N-benzyl-5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-N,3-dimethyl-1-benzofuran-2-carboxamide
C153-0380 Screening compound: N-benzyl-5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-N,3-dimethyl-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C153-0380
N-benzyl-5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-N,3-dimethyl-1-benzofuran-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

C153-0380

Molecular Formula

C25H30N2O4S (C25 H30 N2 O4 S)

Compound Name

N-benzyl-5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-N,3-dimethyl-1-benzofuran-2-carboxamide

IUPAC name

N-benzyl-5-[(35-dimethylpiperidin-1-yl)sulfonyl]-N3-dimethyl-1-benzofuran-2-carboxamide

SMILES

CC(CC(C)C1)CN1S(c(cc1)cc2c1oc(C(N(C)Cc1ccccc1)=O)c2C)(=O)=O

InChI

InChI=1S/C25H30N2O4S/c1-17-12-18(2)15-27(14-17)32(29,30)21-10-11-23-22(13-21)19(3)24(31-23)25(28)26(4)16-20-8-6-5-7-9-20/h5-11,13,17-18H,12,14-16H2,1-4H3

InChI Key

ZJEVPGYPMMBXFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723098

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.304

Distribution Coefficient, logD

5.304

Water Solubility, LogSw

-5.37

Polar Surface Area

56.493

Acid Dissociation Constant (pKa)

25.38

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

C153-0380 in Drug Discovery

Included in Screening Libraries

CNS Annotated Library (688 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C153-0380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C153-0380?
Check Price and Availability of C153-0380, 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 C153-0380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C153-0380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C153-0380
  • 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 C153-0380 available by request