4872-0620 Screening compound: 2-[(2Z)-3-chloro-1,3-dinitroprop-2-en-1-ylidene]-1,3-diazinane

4872-0620 Screening compound: 2-[(2Z)-3-chloro-1,3-dinitroprop-2-en-1-ylidene]-1,3-diazinane
4872-0620 Screening compound: 2-[(2Z)-3-chloro-1,3-dinitroprop-2-en-1-ylidene]-1,3-diazinane alternative view

Chemical Structure Depiction of ChemDiv screening compound 4872-0620
2-[(2Z)-3-chloro-1,3-dinitroprop-2-en-1-ylidene]-1,3-diazinane

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

4872-0620

Molecular Formula

C7H9ClN4O4 (C7 H9 ClN4 O4)

Compound Name

2-[(2Z)-3-chloro-1,3-dinitroprop-2-en-1-ylidene]-1,3-diazinane

IUPAC name

2-[(2Z)-3-chloro-13-dinitroprop-2-en-1-ylidene]-13-diazinane

SMILES

[O-][N+](C(/C=C(/[N+]([O-])=O)\Cl)=C1NCCCN1)=O

InChI

InChI=1S/C7H9ClN4O4/c8-6(12(15)16)4-5(11(13)14)7-9-2-1-3-10-7/h4,9-10H,1-3H2

InChI Key

REZFJCZDPCOFPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03448084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

248.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.417

Distribution Coefficient, logD

0.417

Water Solubility, LogSw

-2.03

Polar Surface Area

86.324

Acid Dissociation Constant (pKa)

12.20

Base Dissociation Constant (pKb)

-2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with 4872-0620 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4872-0620?
Check Price and Availability of 4872-0620, 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 4872-0620 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4872-0620
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4872-0620
  • 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 4872-0620 available by request