8010-4813 Screening compound: 4-[4-(4,5-dicyano-2-nitrophenyl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile

8010-4813 Screening compound: 4-[4-(4,5-dicyano-2-nitrophenyl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile
8010-4813 Screening compound: 4-[4-(4,5-dicyano-2-nitrophenyl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-4813
4-[4-(4,5-dicyano-2-nitrophenyl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile

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

8010-4813

Molecular Formula

C20H12N8O4 (C20 H12 N8 O4)

Compound Name

4-[4-(4,5-dicyano-2-nitrophenyl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile

IUPAC name

4-[4-(45-dicyano-2-nitrophenyl)piperazin-1-yl]-5-nitrobenzene-12-dicarbonitrile

SMILES

N#Cc(c(C#N)c1)cc(N(CC2)CCN2c(cc(c(C#N)c2)C#N)c2[N+]([O-])=O)c1[N+]([O-])=O

InChI

InChI=1S/C20H12N8O4/c21-9-13-5-17(19(27(29)30)7-15(13)11-23)25-1-2-26(4-3-25)18-6-14(10-22)16(12-24)8-20(18)28(31)32/h5-8H,1-4H2

InChI Key

SRSYLIGGUCSGKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01883336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.37

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.613

Distribution Coefficient, logD

2.613

Water Solubility, LogSw

-3.15

Polar Surface Area

140.736

Acid Dissociation Constant (pKa)

28.08

Base Dissociation Constant (pKb)

-5.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 8010-4813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-4813?
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What is the minimum amount of 8010-4813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-4813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-4813
  • 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 8010-4813 available by request