C561-2956 Screening compound: 6-{3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl}-1,3,5,7-tetramethyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

C561-2956 Screening compound: 6-{3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl}-1,3,5,7-tetramethyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione
C561-2956 Screening compound: 6-{3-[4-(furan-2-carbonyl)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 C561-2956
6-{3-[4-(furan-2-carbonyl)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

C561-2956

Molecular Formula

C23H27N5O5 (C23 H27 N5 O5)

Compound Name

6-{3-[4-(furan-2-carbonyl)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-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl}-1357-tetramethyl-1H2H3H4H-pyrido[23-d]pyrimidine-24-dione

SMILES

Cc1c(CCC(N(CC2)CCN2C(c2ccco2)=O)=O)c(C)nc(N(C)C(N2C)=O)c1C2=O

InChI

InChI=1S/C23H27N5O5/c1-14-16(15(2)24-20-19(14)22(31)26(4)23(32)25(20)3)7-8-18(29)27-9-11-28(12-10-27)21(30)17-6-5-13-33-17/h5-6,13H,7-12H2,1-4H3

InChI Key

ULCFINCOBIEPEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771831

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.476

Distribution Coefficient, logD

1.475

Water Solubility, LogSw

-1.57

Polar Surface Area

82.972

Acid Dissociation Constant (pKa)

22.77

Base Dissociation Constant (pKb)

4.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

C561-2956 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C561-2956 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-2956?
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What is the minimum amount of C561-2956 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-2956
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2956
  • 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 C561-2956 available by request