C521-0890 Screening compound: N-[3-(2-ethylpiperidin-1-yl)propyl]-5-[(2-methylbenzenesulfonyl)methyl]furan-2-carboxamide

C521-0890 Screening compound: N-[3-(2-ethylpiperidin-1-yl)propyl]-5-[(2-methylbenzenesulfonyl)methyl]furan-2-carboxamide
C521-0890 Screening compound: N-[3-(2-ethylpiperidin-1-yl)propyl]-5-[(2-methylbenzenesulfonyl)methyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C521-0890
N-[3-(2-ethylpiperidin-1-yl)propyl]-5-[(2-methylbenzenesulfonyl)methyl]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

C521-0890

Molecular Formula

C23H32N2O4S (C23 H32 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCC1N(CCCNC(c2ccc(CS(c3c(C)cccc3)(=O)=O)o2)=O)CCCC1

InChI

InChI=1S/C23H32N2O4S/c1-3-19-10-6-7-15-25(19)16-8-14-24-23(26)21-13-12-20(29-21)17-30(27,28)22-11-5-4-9-18(22)2/h4-5,9,11-13,19H,3,6-8,10,14-17H2,1-2H3,(H,24,26)/t19-/m0/s1

InChI Key

GGKPSXTUPHEENQ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14765465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.423

Distribution Coefficient, logD

0.556

Water Solubility, LogSw

-3.56

Polar Surface Area

64.894

Acid Dissociation Constant (pKa)

14.84

Base Dissociation Constant (pKb)

10.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.20

C521-0890 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with C521-0890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C521-0890?
Check Price and Availability of C521-0890, 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 C521-0890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C521-0890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C521-0890
  • 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 C521-0890 available by request