C285-0116 Screening compound: ethyl 1-{2-oxo-2-[5-oxo-9-(pentyloxy)-1H,2H,3H,4H,5H-chromeno[3,4-b]pyridin-4-yl]ethyl}piperidine-3-carboxylate

C285-0116 Screening compound: ethyl 1-{2-oxo-2-[5-oxo-9-(pentyloxy)-1H,2H,3H,4H,5H-chromeno[3,4-b]pyridin-4-yl]ethyl}piperidine-3-carboxylate
C285-0116 Screening compound: ethyl 1-{2-oxo-2-[5-oxo-9-(pentyloxy)-1H,2H,3H,4H,5H-chromeno[3,4-b]pyridin-4-yl]ethyl}piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C285-0116
ethyl 1-{2-oxo-2-[5-oxo-9-(pentyloxy)-1H,2H,3H,4H,5H-chromeno[3,4-b]pyridin-4-yl]ethyl}piperidine-3-carboxylate

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

C285-0116

Molecular Formula

C27H36N2O6 (C27 H36 N2 O6)

Compound Name

ethyl 1-{2-oxo-2-[5-oxo-9-(pentyloxy)-1H,2H,3H,4H,5H-chromeno[3,4-b]pyridin-4-yl]ethyl}piperidine-3-carboxylate

IUPAC name

ethyl 1-{2-oxo-2-[5-oxo-9-(pentyloxy)-1H2H3H4H5H-chromeno[34-b]pyridin-4-yl]ethyl}piperidine-3-carboxylate

SMILES

CCCCCOc(cc1)cc(C(CCC2)=C3N2C(CN(CCC2)CC2C(OCC)=O)=O)c1OC3=O

InChI

InChI=1S/C27H36N2O6/c1-3-5-6-15-34-20-11-12-23-22(16-20)21-10-8-14-29(25(21)27(32)35-23)24(30)18-28-13-7-9-19(17-28)26(31)33-4-2/h11-12,16,19H,3-10,13-15,17-18H2,1-2H3/t19-/m0/s1

InChI Key

FCLYWPVTPIFLNH-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14740894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.206

Distribution Coefficient, logD

4.202

Water Solubility, LogSw

-4.08

Polar Surface Area

68.288

Acid Dissociation Constant (pKa)

22.31

Base Dissociation Constant (pKb)

5.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.30

C285-0116 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 C285-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C285-0116?
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What is the minimum amount of C285-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C285-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C285-0116
  • 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 C285-0116 available by request