0488-0549 Screening compound: 1,4-bis(3,5-dinitrobenzoyl)piperazine

0488-0549 Screening compound: 1,4-bis(3,5-dinitrobenzoyl)piperazine
0488-0549 Screening compound: 1,4-bis(3,5-dinitrobenzoyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0488-0549
1,4-bis(3,5-dinitrobenzoyl)piperazine

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

0488-0549

Molecular Formula

C18H14N6O10 (C18 H14 N6 O10)

Compound Name

1,4-bis(3,5-dinitrobenzoyl)piperazine

IUPAC name

14-bis(35-dinitrobenzoyl)piperazine

SMILES

[O-][N+](c1cc(C(N(CC2)CCN2C(c2cc([N+]([O-])=O)cc([N+]([O-])=O)c2)=O)=O)cc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C18H14N6O10/c25-17(11-5-13(21(27)28)9-14(6-11)22(29)30)19-1-2-20(4-3-19)18(26)12-7-15(23(31)32)10-16(8-12)24(33)34/h5-10H,1-4H2

InChI Key

KMWYWCKPLAQJCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00316602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.34

Hydrogen Bond Acceptors Count

20.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

16

Partition Coefficient, logP

1.691

Distribution Coefficient, logD

1.691

Water Solubility, LogSw

-1.92

Polar Surface Area

166.869

Acid Dissociation Constant (pKa)

28.95

Base Dissociation Constant (pKb)

-8.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 0488-0549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0488-0549?
Check Price and Availability of 0488-0549, 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 0488-0549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0488-0549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0488-0549
  • 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 0488-0549 available by request