C285-0085 Screening compound: 9-propoxy-4-[2-(1,2,3,4-tetrahydroquinolin-1-yl)acetyl]-1H,2H,3H,4H,5H-chromeno[3,4-b]pyridin-5-one

C285-0085 Screening compound: 9-propoxy-4-[2-(1,2,3,4-tetrahydroquinolin-1-yl)acetyl]-1H,2H,3H,4H,5H-chromeno[3,4-b]pyridin-5-one
C285-0085 Screening compound: 9-propoxy-4-[2-(1,2,3,4-tetrahydroquinolin-1-yl)acetyl]-1H,2H,3H,4H,5H-chromeno[3,4-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C285-0085
9-propoxy-4-[2-(1,2,3,4-tetrahydroquinolin-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

C285-0085

Molecular Formula

C26H28N2O4 (C26 H28 N2 O4)

Compound Name

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

IUPAC name

9-propoxy-4-[2-(1234-tetrahydroquinolin-1-yl)acetyl]-1H2H3H4H5H-chromeno[34-b]pyridin-5-one

SMILES

CCCOc(cc1)cc(C(CCC2)=C3N2C(CN(CCC2)c4c2cccc4)=O)c1OC3=O

InChI

InChI=1S/C26H28N2O4/c1-2-15-31-19-11-12-23-21(16-19)20-9-6-14-28(25(20)26(30)32-23)24(29)17-27-13-5-8-18-7-3-4-10-22(18)27/h3-4,7,10-12,16H,2,5-6,8-9,13-15,17H2,1H3

InChI Key

WVAWADCKYYMUAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14740867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.655

Distribution Coefficient, logD

4.653

Water Solubility, LogSw

-4.39

Polar Surface Area

46.431

Acid Dissociation Constant (pKa)

21.07

Base Dissociation Constant (pKb)

5.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

C285-0085 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 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 C285-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C285-0085?
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What is the minimum amount of C285-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C285-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C285-0085
  • 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 C285-0085 available by request