D154-0156 Screening compound: 7-methyl-4-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}-2H-chromen-2-one

D154-0156 Screening compound: 7-methyl-4-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}-2H-chromen-2-one
D154-0156 Screening compound: 7-methyl-4-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D154-0156
7-methyl-4-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}-2H-chromen-2-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

D154-0156

Molecular Formula

C21H21N3O4 (C21 H21 N3 O4)

Compound Name

7-methyl-4-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}-2H-chromen-2-one

IUPAC name

7-methyl-4-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}-2H-chromen-2-one

SMILES

Cc(cc1)cc(O2)c1C(CN(CC1)CCN1c(cc1)ccc1[N+]([O-])=O)=CC2=O

InChI

InChI=1S/C21H21N3O4/c1-15-2-7-19-16(13-21(25)28-20(19)12-15)14-22-8-10-23(11-9-22)17-3-5-18(6-4-17)24(26)27/h2-7,12-13H,8-11,14H2,1H3

InChI Key

IZQQSMGQLJMMTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04874856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.500

Distribution Coefficient, logD

3.491

Water Solubility, LogSw

-3.79

Polar Surface Area

61.020

Acid Dissociation Constant (pKa)

27.97

Base Dissociation Constant (pKb)

5.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D154-0156 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D154-0156 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D154-0156?
Check Price and Availability of D154-0156, 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 D154-0156 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D154-0156
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D154-0156
  • 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 D154-0156 available by request