F644-0111 Screening compound: 3-{3,5-dimethyl-1-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}-N-[(thiophen-2-yl)methyl]propanamide

F644-0111 Screening compound: 3-{3,5-dimethyl-1-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}-N-[(thiophen-2-yl)methyl]propanamide
F644-0111 Screening compound: 3-{3,5-dimethyl-1-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}-N-[(thiophen-2-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F644-0111
3-{3,5-dimethyl-1-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}-N-[(thiophen-2-yl)methyl]propanamide

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

F644-0111

Molecular Formula

C21H26N6OS (C21 H26 N6 OS)

Compound Name

3-{3,5-dimethyl-1-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}-N-[(thiophen-2-yl)methyl]propanamide

IUPAC name

3-{35-dimethyl-1-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}-N-[(thiophen-2-yl)methyl]propanamide

SMILES

Cc1c(CCC(NCc2cccs2)=O)c(C)nn1-c1ncnc(N2CCCC2)c1

InChI

InChI=1S/C21H26N6OS/c1-15-18(7-8-21(28)22-13-17-6-5-11-29-17)16(2)27(25-15)20-12-19(23-14-24-20)26-9-3-4-10-26/h5-6,11-12,14H,3-4,7-10,13H2,1-2H3,(H,22,28)

InChI Key

CAGILUUSFLABOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27181892

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.527

Distribution Coefficient, logD

3.493

Water Solubility, LogSw

-3.85

Polar Surface Area

62.430

Acid Dissociation Constant (pKa)

13.68

Base Dissociation Constant (pKb)

6.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

F644-0111 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

GPCR Targeted Library (31838 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
  • 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 F644-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F644-0111?
Check Price and Availability of F644-0111, 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 F644-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F644-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F644-0111
  • 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 F644-0111 available by request