K788-7762 Screening compound: N~2~-(1-benzyl-4-piperidyl)-5-{[(2-methylphenyl)sulfonyl]methyl}-2-furamide

K788-7762 Screening compound: N~2~-(1-benzyl-4-piperidyl)-5-{[(2-methylphenyl)sulfonyl]methyl}-2-furamide
K788-7762 Screening compound: N~2~-(1-benzyl-4-piperidyl)-5-{[(2-methylphenyl)sulfonyl]methyl}-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-7762
N~2~-(1-benzyl-4-piperidyl)-5-{[(2-methylphenyl)sulfonyl]methyl}-2-furamide

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

K788-7762

Molecular Formula

C25H28N2O4S (C25 H28 N2 O4 S)

Compound Name

N~2~-(1-benzyl-4-piperidyl)-5-{[(2-methylphenyl)sulfonyl]methyl}-2-furamide

IUPAC name

N-(1-benzylpiperidin-4-yl)-5-[(2-methylbenzenesulfonyl)methyl]furan-2-carboxamide

SMILES

Cc(cccc1)c1S(Cc1ccc(C(NC2CCN(Cc3ccccc3)CC2)=O)o1)(=O)=O

InChI

InChI=1S/C25H28N2O4S/c1-19-7-5-6-10-24(19)32(29,30)18-22-11-12-23(31-22)25(28)26-21-13-15-27(16-14-21)17-20-8-3-2-4-9-20/h2-12,21H,13-18H2,1H3,(H,26,28)

InChI Key

FCHBMRJAORPNGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15107352

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.746

Distribution Coefficient, logD

2.301

Water Solubility, LogSw

-3.86

Polar Surface Area

64.524

Acid Dissociation Constant (pKa)

15.46

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

K788-7762 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 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 K788-7762 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-7762?
Check Price and Availability of K788-7762, 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 K788-7762 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-7762
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-7762
  • 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 K788-7762 available by request