8005-4390 Screening compound: 2-methoxy-1,3-dinitro-5-[2,2,2-trichloro-1-(4-methoxy-3,5-dinitrophenyl)ethyl]benzene

8005-4390 Screening compound: 2-methoxy-1,3-dinitro-5-[2,2,2-trichloro-1-(4-methoxy-3,5-dinitrophenyl)ethyl]benzene
8005-4390 Screening compound: 2-methoxy-1,3-dinitro-5-[2,2,2-trichloro-1-(4-methoxy-3,5-dinitrophenyl)ethyl]benzene alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-4390
2-methoxy-1,3-dinitro-5-[2,2,2-trichloro-1-(4-methoxy-3,5-dinitrophenyl)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

8005-4390

Molecular Formula

C16H11Cl3N4O10 (C16 H11 Cl3 N4 O10)

Compound Name

2-methoxy-1,3-dinitro-5-[2,2,2-trichloro-1-(4-methoxy-3,5-dinitrophenyl)ethyl]benzene

IUPAC name

2-methoxy-13-dinitro-5-[222-trichloro-1-(4-methoxy-35-dinitrophenyl)ethyl]benzene

SMILES

COc(c([N+]([O-])=O)cc(C(C(Cl)(Cl)Cl)c(cc1[N+]([O-])=O)cc([N+]([O-])=O)c1OC)c1)c1[N+]([O-])=O

InChI

InChI=1S/C16H11Cl3N4O10/c1-32-14-9(20(24)25)3-7(4-10(14)21(26)27)13(16(17,18)19)8-5-11(22(28)29)15(33-2)12(6-8)23(30)31/h3-6,13H,1-2H3

InChI Key

QIIMHOLOGZAIBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00625761

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.64

Hydrogen Bond Acceptors Count

18.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

4.669

Distribution Coefficient, logD

4.669

Water Solubility, LogSw

-5.04

Polar Surface Area

147.723

Acid Dissociation Constant (pKa)

24.88

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8005-4390 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-4390?
Check Price and Availability of 8005-4390, 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 8005-4390 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-4390
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-4390
  • 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 8005-4390 available by request