Y032-0856 Screening compound: 4-chloro-N,N-bis(cyanomethyl)-3,5-dinitrobenzamide

Y032-0856 Screening compound: 4-chloro-N,N-bis(cyanomethyl)-3,5-dinitrobenzamide
Y032-0856 Screening compound: 4-chloro-N,N-bis(cyanomethyl)-3,5-dinitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-0856
4-chloro-N,N-bis(cyanomethyl)-3,5-dinitrobenzamide

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

Y032-0856

Molecular Formula

C11H6ClN5O5 (C11 H6 ClN5 O5)

Compound Name

4-chloro-N,N-bis(cyanomethyl)-3,5-dinitrobenzamide

IUPAC name

4-chloro-NN-bis(cyanomethyl)-35-dinitrobenzamide

SMILES

N#CCN(CC#N)C(c(cc1[N+]([O-])=O)cc([N+]([O-])=O)c1Cl)=O

InChI

InChI=1S/C11H6ClN5O5/c12-10-8(16(19)20)5-7(6-9(10)17(21)22)11(18)15(3-1-13)4-2-14/h5-6H,3-4H2

InChI Key

BWPZHZQQHWKHLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02038669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.65

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.451

Distribution Coefficient, logD

0.451

Water Solubility, LogSw

-2.51

Polar Surface Area

117.823

Acid Dissociation Constant (pKa)

23.09

Base Dissociation Constant (pKb)

-6.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

References: we are preparing a list of scientific research reports with Y032-0856 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-0856?
Check Price and Availability of Y032-0856, 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 Y032-0856 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-0856
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-0856
  • 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 Y032-0856 available by request