D154-0150 Screening compound: ethyl 4-[(7-methyl-2-oxo-2H-chromen-4-yl)methyl]piperazine-1-carboxylate

D154-0150 Screening compound: ethyl 4-[(7-methyl-2-oxo-2H-chromen-4-yl)methyl]piperazine-1-carboxylate
D154-0150 Screening compound: ethyl 4-[(7-methyl-2-oxo-2H-chromen-4-yl)methyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D154-0150
ethyl 4-[(7-methyl-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

D154-0150

Molecular Formula

C18H22N2O4 (C18 H22 N2 O4)

Compound Name

ethyl 4-[(7-methyl-2-oxo-2H-chromen-4-yl)methyl]piperazine-1-carboxylate

IUPAC name

ethyl 4-[(7-methyl-2-oxo-2H-chromen-4-yl)methyl]piperazine-1-carboxylate

SMILES

CCOC(N1CCN(CC(c(ccc(C)c2)c2O2)=CC2=O)CC1)=O

InChI

InChI=1S/C18H22N2O4/c1-3-23-18(22)20-8-6-19(7-9-20)12-14-11-17(21)24-16-10-13(2)4-5-15(14)16/h4-5,10-11H,3,6-9,12H2,1-2H3

InChI Key

BFKAJHUKOGXELP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05672883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.356

Distribution Coefficient, logD

2.347

Water Solubility, LogSw

-2.93

Polar Surface Area

47.158

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

5.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

D154-0150 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D154-0150 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D154-0150?
Check Price and Availability of D154-0150, 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 D154-0150 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D154-0150
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D154-0150
  • 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 D154-0150 available by request