C521-0901 Screening compound: 5-[(2-methylbenzenesulfonyl)methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]furan-2-carboxamide

C521-0901 Screening compound: 5-[(2-methylbenzenesulfonyl)methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]furan-2-carboxamide
C521-0901 Screening compound: 5-[(2-methylbenzenesulfonyl)methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C521-0901
5-[(2-methylbenzenesulfonyl)methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]furan-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

C521-0901

Molecular Formula

C22H30N2O4S (C22 H30 N2 O4 S)

Compound Name

5-[(2-methylbenzenesulfonyl)methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]furan-2-carboxamide

IUPAC name

5-[(2-methylbenzenesulfonyl)methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]furan-2-carboxamide

SMILES

CC1CN(CCCNC(c2ccc(CS(c3c(C)cccc3)(=O)=O)o2)=O)CCC1

InChI

InChI=1S/C22H30N2O4S/c1-17-7-5-13-24(15-17)14-6-12-23-22(25)20-11-10-19(28-20)16-29(26,27)21-9-4-3-8-18(21)2/h3-4,8-11,17H,5-7,12-16H2,1-2H3,(H,23,25)/t17-/m0/s1

InChI Key

OTKOUSRRUMNYLV-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14765473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.995

Distribution Coefficient, logD

0.423

Water Solubility, LogSw

-3.28

Polar Surface Area

65.015

Acid Dissociation Constant (pKa)

14.84

Base Dissociation Constant (pKb)

9.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

C521-0901 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 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

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C521-0901 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C521-0901?
Check Price and Availability of C521-0901, 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 C521-0901 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C521-0901
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C521-0901
  • 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 C521-0901 available by request