C285-0093 Screening compound: ethyl 4-(2-oxo-2-{5-oxo-9-propoxy-1H,2H,3H,4H,5H-chromeno[3,4-b]pyridin-4-yl}ethyl)piperazine-1-carboxylate

C285-0093 Screening compound: ethyl 4-(2-oxo-2-{5-oxo-9-propoxy-1H,2H,3H,4H,5H-chromeno[3,4-b]pyridin-4-yl}ethyl)piperazine-1-carboxylate
C285-0093 Screening compound: ethyl 4-(2-oxo-2-{5-oxo-9-propoxy-1H,2H,3H,4H,5H-chromeno[3,4-b]pyridin-4-yl}ethyl)piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C285-0093
ethyl 4-(2-oxo-2-{5-oxo-9-propoxy-1H,2H,3H,4H,5H-chromeno[3,4-b]pyridin-4-yl}ethyl)piperazine-1-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

C285-0093

Molecular Formula

C24H31N3O6 (C24 H31 N3 O6)

Compound Name

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

IUPAC name

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

SMILES

CCCOc(cc1)cc(C(CCC2)=C3N2C(CN(CC2)CCN2C(OCC)=O)=O)c1OC3=O

InChI

InChI=1S/C24H31N3O6/c1-3-14-32-17-7-8-20-19(15-17)18-6-5-9-27(22(18)23(29)33-20)21(28)16-25-10-12-26(13-11-25)24(30)31-4-2/h7-8,15H,3-6,9-14,16H2,1-2H3

InChI Key

CMOOIFDFYXUKKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14740875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.810

Distribution Coefficient, logD

2.808

Water Solubility, LogSw

-3.18

Polar Surface Area

70.381

Acid Dissociation Constant (pKa)

23.38

Base Dissociation Constant (pKb)

4.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.20

C285-0093 in Drug Discovery

Included in Screening Libraries

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 C285-0093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C285-0093?
Check Price and Availability of C285-0093, 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 C285-0093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C285-0093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C285-0093
  • 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 C285-0093 available by request