8004-7855 Screening compound: 2-methoxy-1-methyl-3-nitro-5-[2,2,2-trichloro-1-(4-methoxy-3-methyl-5-nitrophenyl)ethyl]benzene

8004-7855 Screening compound: 2-methoxy-1-methyl-3-nitro-5-[2,2,2-trichloro-1-(4-methoxy-3-methyl-5-nitrophenyl)ethyl]benzene
8004-7855 Screening compound: 2-methoxy-1-methyl-3-nitro-5-[2,2,2-trichloro-1-(4-methoxy-3-methyl-5-nitrophenyl)ethyl]benzene alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-7855
2-methoxy-1-methyl-3-nitro-5-[2,2,2-trichloro-1-(4-methoxy-3-methyl-5-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

8004-7855

Molecular Formula

C18H17Cl3N2O6 (C18 H17 Cl3 N2 O6)

Compound Name

2-methoxy-1-methyl-3-nitro-5-[2,2,2-trichloro-1-(4-methoxy-3-methyl-5-nitrophenyl)ethyl]benzene

IUPAC name

2-methoxy-1-methyl-3-nitro-5-[222-trichloro-1-(4-methoxy-3-methyl-5-nitrophenyl)ethyl]benzene

SMILES

Cc1cc(C(C(Cl)(Cl)Cl)c(cc2C)cc([N+]([O-])=O)c2OC)cc([N+]([O-])=O)c1OC

InChI

InChI=1S/C18H17Cl3N2O6/c1-9-5-11(7-13(22(24)25)16(9)28-3)15(18(19,20)21)12-6-10(2)17(29-4)14(8-12)23(26)27/h5-8,15H,1-4H3

InChI Key

QIGLLZZVDLKJJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00658322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.7

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.970

Distribution Coefficient, logD

5.970

Water Solubility, LogSw

-6.41

Polar Surface Area

81.562

Acid Dissociation Constant (pKa)

24.88

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 8004-7855 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-7855?
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What is the minimum amount of 8004-7855 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-7855
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-7855
  • 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 8004-7855 available by request