C561-1076 Screening compound: 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

C561-1076 Screening compound: 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
C561-1076 Screening compound: 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-1076
3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-[4-(4-fluorophenyl)piperazin-1-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

C561-1076

Molecular Formula

C27H27F2N5O (C27 H27 F2 N5 O)

Compound Name

3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

IUPAC name

3-[2-(3-fluorophenyl)-57-dimethylpyrazolo[15-a]pyrimidin-6-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

SMILES

Cc1c(CCC(N(CC2)CCN2c(cc2)ccc2F)=O)c(C)nc2cc(-c3cccc(F)c3)nn12

InChI

InChI=1S/C27H27F2N5O/c1-18-24(19(2)34-26(30-18)17-25(31-34)20-4-3-5-22(29)16-20)10-11-27(35)33-14-12-32(13-15-33)23-8-6-21(28)7-9-23/h3-9,16-17H,10-15H2,1-2H3

InChI Key

RMPQFDDKQVZQJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14770631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.467

Distribution Coefficient, logD

4.459

Water Solubility, LogSw

-4.44

Polar Surface Area

39.102

Acid Dissociation Constant (pKa)

21.75

Base Dissociation Constant (pKb)

5.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

C561-1076 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C561-1076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-1076?
Check Price and Availability of C561-1076, 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 C561-1076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-1076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-1076
  • 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 C561-1076 available by request