F787-0547 Screening compound: 1H-imidazol-4-yl {2-[4-(4-methoxyphenyl)piperazino]-4,5-dihydro-1H-imidazol-1-yl} sulfone

F787-0547 Screening compound: 1H-imidazol-4-yl {2-[4-(4-methoxyphenyl)piperazino]-4,5-dihydro-1H-imidazol-1-yl} sulfone
F787-0547 Screening compound: 1H-imidazol-4-yl {2-[4-(4-methoxyphenyl)piperazino]-4,5-dihydro-1H-imidazol-1-yl} sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound F787-0547
1H-imidazol-4-yl {2-[4-(4-methoxyphenyl)piperazino]-4,5-dihydro-1H-imidazol-1-yl} sulfone

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

F787-0547

Molecular Formula

C17H22N6O3S (C17 H22 N6 O3 S)

Compound Name

1H-imidazol-4-yl {2-[4-(4-methoxyphenyl)piperazino]-4,5-dihydro-1H-imidazol-1-yl} sulfone

IUPAC name

1-[1-(1H-imidazole-4-sulfonyl)-45-dihydro-1H-imidazol-2-yl]-4-(4-methoxyphenyl)piperazine

SMILES

COc(cc1)ccc1N(CC1)CCN1C1=NCCN1S(c1c[nH]cn1)(=O)=O

InChI

InChI=1S/C17H22N6O3S/c1-26-15-4-2-14(3-5-15)21-8-10-22(11-9-21)17-19-6-7-23(17)27(24,25)16-12-18-13-20-16/h2-5,12-13H,6-11H2,1H3,(H,18,20)

InChI Key

IZZDXPHDFJVCHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14966846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.368

Distribution Coefficient, logD

1.212

Water Solubility, LogSw

-2.28

Polar Surface Area

77.611

Acid Dissociation Constant (pKa)

9.14

Base Dissociation Constant (pKb)

7.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.18

F787-0547 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 F787-0547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F787-0547?
Check Price and Availability of F787-0547, 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 F787-0547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F787-0547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F787-0547
  • 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 F787-0547 available by request