Y041-3818 Screening compound: ethyl 4-[(6-hydroxy-2-oxo-2H-chromen-4-yl)methyl]piperazine-1-carboxylate

Y041-3818 Screening compound: ethyl 4-[(6-hydroxy-2-oxo-2H-chromen-4-yl)methyl]piperazine-1-carboxylate
Y041-3818 Screening compound: ethyl 4-[(6-hydroxy-2-oxo-2H-chromen-4-yl)methyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-3818
ethyl 4-[(6-hydroxy-2-oxo-2H-chromen-4-yl)methyl]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

Y041-3818

Molecular Formula

C17H20N2O5 (C17 H20 N2 O5)

Compound Name

ethyl 4-[(6-hydroxy-2-oxo-2H-chromen-4-yl)methyl]piperazine-1-carboxylate

IUPAC name

ethyl 4-[(6-hydroxy-2-oxo-2H-chromen-4-yl)methyl]piperazine-1-carboxylate

SMILES

CCOC(N1CCN(CC(c(cc(cc2)O)c2O2)=CC2=O)CC1)=O

InChI

InChI=1S/C17H20N2O5/c1-2-23-17(22)19-7-5-18(6-8-19)11-12-9-16(21)24-15-4-3-13(20)10-14(12)15/h3-4,9-10,20H,2,5-8,11H2,1H3

InChI Key

MOKPDGXLCVQPHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05673418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.36

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

1.357

Distribution Coefficient, logD

1.348

Water Solubility, LogSw

-2.36

Polar Surface Area

64.775

Acid Dissociation Constant (pKa)

9.47

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

Y041-3818 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 Y041-3818 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-3818?
Check Price and Availability of Y041-3818, 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 Y041-3818 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-3818
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-3818
  • 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 Y041-3818 available by request