C561-0810 Screening compound: 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-1-one

C561-0810 Screening compound: 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-1-one
C561-0810 Screening compound: 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-0810
3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-[4-(pyridin-2-yl)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

C561-0810

Molecular Formula

C27H29FN6O (C27 H29 FN6 O)

Compound Name

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

IUPAC name

3-[3-(4-fluorophenyl)-257-trimethylpyrazolo[15-a]pyrimidin-6-yl]-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-1-one

SMILES

Cc1nn2c(C)c(CCC(N(CC3)CCN3c3ncccc3)=O)c(C)nc2c1-c(cc1)ccc1F

InChI

InChI=1S/C27H29FN6O/c1-18-23(11-12-25(35)33-16-14-32(15-17-33)24-6-4-5-13-29-24)20(3)34-27(30-18)26(19(2)31-34)21-7-9-22(28)10-8-21/h4-10,13H,11-12,14-17H2,1-3H3

InChI Key

SJUYDHBGNBAOKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14770429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.757

Distribution Coefficient, logD

3.748

Water Solubility, LogSw

-4.32

Polar Surface Area

48.737

Acid Dissociation Constant (pKa)

22.16

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C561-0810 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C561-0810 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-0810?
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What is the minimum amount of C561-0810 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-0810
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-0810
  • 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 C561-0810 available by request