0382-0002 Screening compound: 1-chloro-2-nitro-4-[2,2,2-trichloro-1-(4-chloro-3-nitrophenyl)ethyl]benzene

0382-0002 Screening compound: 1-chloro-2-nitro-4-[2,2,2-trichloro-1-(4-chloro-3-nitrophenyl)ethyl]benzene
0382-0002 Screening compound: 1-chloro-2-nitro-4-[2,2,2-trichloro-1-(4-chloro-3-nitrophenyl)ethyl]benzene alternative view

Chemical Structure Depiction of ChemDiv screening compound 0382-0002
1-chloro-2-nitro-4-[2,2,2-trichloro-1-(4-chloro-3-nitrophenyl)ethyl]benzene

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

0382-0002

Molecular Formula

C14H7Cl5N2O4 (C14 H7 Cl5 N2 O4)

Compound Name

1-chloro-2-nitro-4-[2,2,2-trichloro-1-(4-chloro-3-nitrophenyl)ethyl]benzene

IUPAC name

1-chloro-2-nitro-4-[222-trichloro-1-(4-chloro-3-nitrophenyl)ethyl]benzene

SMILES

[O-][N+](c(cc(C(C(Cl)(Cl)Cl)c(cc1)cc([N+]([O-])=O)c1Cl)cc1)c1Cl)=O

InChI

InChI=1S/C14H7Cl5N2O4/c15-9-3-1-7(5-11(9)20(22)23)13(14(17,18)19)8-2-4-10(16)12(6-8)21(24)25/h1-6,13H

InChI Key

XGLYWGKZHLEQGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00221898

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.824

Distribution Coefficient, logD

5.824

Water Solubility, LogSw

-6.48

Polar Surface Area

66.128

Acid Dissociation Constant (pKa)

23.95

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 0382-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0382-0002?
Check Price and Availability of 0382-0002, 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 0382-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0382-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0382-0002
  • 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 0382-0002 available by request