C285-0121 Screening compound: 9-propoxy-4-{2-[4-(pyrimidin-2-yl)piperazin-1-yl]acetyl}-1H,2H,3H,4H,5H-chromeno[3,4-b]pyridin-5-one

C285-0121 Screening compound: 9-propoxy-4-{2-[4-(pyrimidin-2-yl)piperazin-1-yl]acetyl}-1H,2H,3H,4H,5H-chromeno[3,4-b]pyridin-5-one
C285-0121 Screening compound: 9-propoxy-4-{2-[4-(pyrimidin-2-yl)piperazin-1-yl]acetyl}-1H,2H,3H,4H,5H-chromeno[3,4-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C285-0121
9-propoxy-4-{2-[4-(pyrimidin-2-yl)piperazin-1-yl]acetyl}-1H,2H,3H,4H,5H-chromeno[3,4-b]pyridin-5-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

C285-0121

Molecular Formula

C25H29N5O4 (C25 H29 N5 O4)

Compound Name

9-propoxy-4-{2-[4-(pyrimidin-2-yl)piperazin-1-yl]acetyl}-1H,2H,3H,4H,5H-chromeno[3,4-b]pyridin-5-one

IUPAC name

9-propoxy-4-{2-[4-(pyrimidin-2-yl)piperazin-1-yl]acetyl}-1H2H3H4H5H-chromeno[34-b]pyridin-5-one

SMILES

CCCOc(cc1)cc(C(CCC2)=C3N2C(CN(CC2)CCN2c2ncccn2)=O)c1OC3=O

InChI

InChI=1S/C25H29N5O4/c1-2-15-33-18-6-7-21-20(16-18)19-5-3-10-30(23(19)24(32)34-21)22(31)17-28-11-13-29(14-12-28)25-26-8-4-9-27-25/h4,6-9,16H,2-3,5,10-15,17H2,1H3

InChI Key

APQHEJHSPOAICT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14740898

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.072

Distribution Coefficient, logD

3.070

Water Solubility, LogSw

-3.28

Polar Surface Area

69.224

Acid Dissociation Constant (pKa)

20.58

Base Dissociation Constant (pKb)

4.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

C285-0121 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Human GPCR Annotated Library (5539 compounds)

Integrin Receptors Targeted library (1715 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Nervous system
Targets:
  • Others
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C285-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C285-0121?
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What is the minimum amount of C285-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C285-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C285-0121
  • 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 C285-0121 available by request