C561-2941 Screening compound: 6-{3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}-1,3,5,7-tetramethyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

C561-2941 Screening compound: 6-{3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}-1,3,5,7-tetramethyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione
C561-2941 Screening compound: 6-{3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}-1,3,5,7-tetramethyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-2941
6-{3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}-1,3,5,7-tetramethyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

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

C561-2941

Molecular Formula

C26H33N5O3 (C26 H33 N5 O3)

Compound Name

6-{3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}-1,3,5,7-tetramethyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

IUPAC name

6-{3-[4-(23-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}-1357-tetramethyl-1H2H3H4H-pyrido[23-d]pyrimidine-24-dione

SMILES

Cc1cccc(N(CC2)CCN2C(CCc2c(C)c(C(N(C)C(N3C)=O)=O)c3nc2C)=O)c1C

InChI

InChI=1S/C26H33N5O3/c1-16-8-7-9-21(17(16)2)30-12-14-31(15-13-30)22(32)11-10-20-18(3)23-24(27-19(20)4)28(5)26(34)29(6)25(23)33/h7-9H,10-15H2,1-6H3

InChI Key

BJCBTMFKNLTUFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771819

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.027

Distribution Coefficient, logD

4.026

Water Solubility, LogSw

-4.34

Polar Surface Area

60.897

Acid Dissociation Constant (pKa)

22.77

Base Dissociation Constant (pKb)

4.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

C561-2941 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 C561-2941 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-2941?
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What is the minimum amount of C561-2941 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-2941
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2941
  • 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 C561-2941 available by request