8014-1158 Screening compound: 3-(4-benzylpiperazine-1-carbonyl)-6-nitro-2H-chromen-2-one

8014-1158 Screening compound: 3-(4-benzylpiperazine-1-carbonyl)-6-nitro-2H-chromen-2-one
8014-1158 Screening compound: 3-(4-benzylpiperazine-1-carbonyl)-6-nitro-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-1158
3-(4-benzylpiperazine-1-carbonyl)-6-nitro-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

8014-1158

Molecular Formula

C21H19N3O5 (C21 H19 N3 O5)

Compound Name

3-(4-benzylpiperazine-1-carbonyl)-6-nitro-2H-chromen-2-one

IUPAC name

3-(4-benzylpiperazine-1-carbonyl)-6-nitro-2H-chromen-2-one

SMILES

[O-][N+](c(cc1)cc(C=C2C(N3CCN(Cc4ccccc4)CC3)=O)c1OC2=O)=O

InChI

InChI=1S/C21H19N3O5/c25-20(23-10-8-22(9-11-23)14-15-4-2-1-3-5-15)18-13-16-12-17(24(27)28)6-7-19(16)29-21(18)26/h1-7,12-13H,8-11,14H2

InChI Key

QMJLJUUXPDNSKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03767498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.369

Distribution Coefficient, logD

2.349

Water Solubility, LogSw

-3.02

Polar Surface Area

74.730

Acid Dissociation Constant (pKa)

28.73

Base Dissociation Constant (pKb)

6.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with 8014-1158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-1158?
Check Price and Availability of 8014-1158, 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 8014-1158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-1158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-1158
  • 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 8014-1158 available by request