5605-0002 Screening compound: 4-[2-(4-benzylpiperazin-1-yl)acetyl]-9-hydroxy-1H,2H,3H,4H,5H-chromeno[3,4-b]pyridin-5-one

5605-0002 Screening compound: 4-[2-(4-benzylpiperazin-1-yl)acetyl]-9-hydroxy-1H,2H,3H,4H,5H-chromeno[3,4-b]pyridin-5-one
5605-0002 Screening compound: 4-[2-(4-benzylpiperazin-1-yl)acetyl]-9-hydroxy-1H,2H,3H,4H,5H-chromeno[3,4-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5605-0002
4-[2-(4-benzylpiperazin-1-yl)acetyl]-9-hydroxy-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

5605-0002

Molecular Formula

C25H27N3O4 (C25 H27 N3 O4)

Compound Name

4-[2-(4-benzylpiperazin-1-yl)acetyl]-9-hydroxy-1H,2H,3H,4H,5H-chromeno[3,4-b]pyridin-5-one

IUPAC name

4-[2-(4-benzylpiperazin-1-yl)acetyl]-9-hydroxy-1H2H3H4H5H-chromeno[34-b]pyridin-5-one

SMILES

Oc(cc1)cc(C(CCC2)=C3N2C(CN2CCN(Cc4ccccc4)CC2)=O)c1OC3=O

InChI

InChI=1S/C25H27N3O4/c29-19-8-9-22-21(15-19)20-7-4-10-28(24(20)25(31)32-22)23(30)17-27-13-11-26(12-14-27)16-18-5-2-1-3-6-18/h1-3,5-6,8-9,15,29H,4,7,10-14,16-17H2

InChI Key

STJDQUHURWGTBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03861738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.108

Distribution Coefficient, logD

1.968

Water Solubility, LogSw

-3.09

Polar Surface Area

61.341

Acid Dissociation Constant (pKa)

10.15

Base Dissociation Constant (pKb)

6.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

5605-0002 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 5605-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5605-0002?
Check Price and Availability of 5605-0002, 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 5605-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5605-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5605-0002
  • 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 5605-0002 available by request