C678-4115 Screening compound: N-(2-{[4-(2-furylcarbonyl)piperazino]carbonyl}-4-pyridyl)-N-methyl-1-benzenesulfonamide

C678-4115 Screening compound: N-(2-{[4-(2-furylcarbonyl)piperazino]carbonyl}-4-pyridyl)-N-methyl-1-benzenesulfonamide
C678-4115 Screening compound: N-(2-{[4-(2-furylcarbonyl)piperazino]carbonyl}-4-pyridyl)-N-methyl-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C678-4115
N-(2-{[4-(2-furylcarbonyl)piperazino]carbonyl}-4-pyridyl)-N-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

C678-4115

Molecular Formula

C22H22N4O5S (C22 H22 N4 O5 S)

Compound Name

N-(2-{[4-(2-furylcarbonyl)piperazino]carbonyl}-4-pyridyl)-N-methyl-1-benzenesulfonamide

IUPAC name

N-{2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridin-4-yl}-N-methylbenzenesulfonamide

SMILES

CN(c1cc(C(N(CC2)CCN2C(c2ccco2)=O)=O)ncc1)S(c1ccccc1)(=O)=O

InChI

InChI=1S/C22H22N4O5S/c1-24(32(29,30)18-6-3-2-4-7-18)17-9-10-23-19(16-17)21(27)25-11-13-26(14-12-25)22(28)20-8-5-15-31-20/h2-10,15-16H,11-14H2,1H3

InChI Key

JHBOPMDYSCKMHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.837

Distribution Coefficient, logD

1.837

Water Solubility, LogSw

-2.52

Polar Surface Area

83.790

Acid Dissociation Constant (pKa)

27.67

Base Dissociation Constant (pKb)

4.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.73

C678-4115 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C678-4115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C678-4115?
Check Price and Availability of C678-4115, 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 C678-4115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C678-4115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C678-4115
  • 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 C678-4115 available by request