F896-0558 Screening compound: 1-{1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]piperidine-4-carbonyl}-4-(furan-2-carbonyl)piperazine

F896-0558 Screening compound: 1-{1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]piperidine-4-carbonyl}-4-(furan-2-carbonyl)piperazine
F896-0558 Screening compound: 1-{1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]piperidine-4-carbonyl}-4-(furan-2-carbonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound F896-0558
1-{1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]piperidine-4-carbonyl}-4-(furan-2-carbonyl)piperazine

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

F896-0558

Molecular Formula

C20H27N5O5S (C20 H27 N5 O5 S)

Compound Name

1-{1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]piperidine-4-carbonyl}-4-(furan-2-carbonyl)piperazine

IUPAC name

1-{1-[(12-dimethyl-1H-imidazol-4-yl)sulfonyl]piperidine-4-carbonyl}-4-(furan-2-carbonyl)piperazine

SMILES

Cc1nc(S(N(CC2)CCC2C(N(CC2)CCN2C(c2ccco2)=O)=O)(=O)=O)cn1C

InChI

InChI=1S/C20H27N5O5S/c1-15-21-18(14-22(15)2)31(28,29)25-7-5-16(6-8-25)19(26)23-9-11-24(12-10-23)20(27)17-4-3-13-30-17/h3-4,13-14,16H,5-12H2,1-2H3

InChI Key

LHBQCBRPJMDAFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14970296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.016

Distribution Coefficient, logD

0.016

Water Solubility, LogSw

-1.83

Polar Surface Area

85.982

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

F896-0558 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 F896-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F896-0558?
Check Price and Availability of F896-0558, 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 F896-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F896-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F896-0558
  • 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 F896-0558 available by request