F644-0091 Screening compound: 1-(4-benzylpiperidin-1-yl)-3-{3,5-dimethyl-1-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}propan-1-one

F644-0091 Screening compound: 1-(4-benzylpiperidin-1-yl)-3-{3,5-dimethyl-1-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}propan-1-one
F644-0091 Screening compound: 1-(4-benzylpiperidin-1-yl)-3-{3,5-dimethyl-1-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F644-0091
1-(4-benzylpiperidin-1-yl)-3-{3,5-dimethyl-1-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}propan-1-one

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

F644-0091

Molecular Formula

C28H36N6O (C28 H36 N6 O)

Compound Name

1-(4-benzylpiperidin-1-yl)-3-{3,5-dimethyl-1-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}propan-1-one

IUPAC name

1-(4-benzylpiperidin-1-yl)-3-{35-dimethyl-1-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}propan-1-one

SMILES

Cc1c(CCC(N2CCC(Cc3ccccc3)CC2)=O)c(C)nn1-c1ncnc(N2CCCC2)c1

InChI

InChI=1S/C28H36N6O/c1-21-25(22(2)34(31-21)27-19-26(29-20-30-27)32-14-6-7-15-32)10-11-28(35)33-16-12-24(13-17-33)18-23-8-4-3-5-9-23/h3-5,8-9,19-20,24H,6-7,10-18H2,1-2H3

InChI Key

CURPSIFTBYOCIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27181881

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.116

Distribution Coefficient, logD

5.082

Water Solubility, LogSw

-5.16

Polar Surface Area

53.061

Acid Dissociation Constant (pKa)

21.37

Base Dissociation Constant (pKb)

6.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

F644-0091 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F644-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F644-0091?
Check Price and Availability of F644-0091, 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 F644-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F644-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F644-0091
  • 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 F644-0091 available by request