F896-0561 Screening compound: {1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-4-piperidyl}[4-(2-pyrimidinyl)piperazino]methanone

F896-0561 Screening compound: {1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-4-piperidyl}[4-(2-pyrimidinyl)piperazino]methanone
F896-0561 Screening compound: {1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-4-piperidyl}[4-(2-pyrimidinyl)piperazino]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound F896-0561
{1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-4-piperidyl}[4-(2-pyrimidinyl)piperazino]methanone

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

F896-0561

Molecular Formula

C19H27N7O3S (C19 H27 N7 O3 S)

Compound Name

{1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-4-piperidyl}[4-(2-pyrimidinyl)piperazino]methanone

IUPAC name

n/a

SMILES

Cc1nc(S(N(CC2)CCC2C(N(CC2)CCN2c2ncccn2)=O)(=O)=O)cn1C

InChI

InChI=1S/C19H27N7O3S/c1-15-22-17(14-23(15)2)30(28,29)26-8-4-16(5-9-26)18(27)24-10-12-25(13-11-24)19-20-6-3-7-21-19/h3,6-7,14,16H,4-5,8-13H2,1-2H3

InChI Key

JPUXJWVPHSWTKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14970297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.608

Distribution Coefficient, logD

0.608

Water Solubility, LogSw

-1.55

Polar Surface Area

82.570

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

F896-0561 in Drug Discovery

Included in Screening Libraries

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 F896-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F896-0561?
Check Price and Availability of F896-0561, 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 F896-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F896-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F896-0561
  • 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 F896-0561 available by request