0627-0356 Screening compound: 2-ethoxy-1,3-dinitro-5-[2,2,2-trichloro-1-(4-ethoxy-3,5-dinitrophenyl)ethyl]benzene

0627-0356 Screening compound: 2-ethoxy-1,3-dinitro-5-[2,2,2-trichloro-1-(4-ethoxy-3,5-dinitrophenyl)ethyl]benzene
0627-0356 Screening compound: 2-ethoxy-1,3-dinitro-5-[2,2,2-trichloro-1-(4-ethoxy-3,5-dinitrophenyl)ethyl]benzene alternative view

Chemical Structure Depiction of ChemDiv screening compound 0627-0356
2-ethoxy-1,3-dinitro-5-[2,2,2-trichloro-1-(4-ethoxy-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

0627-0356

Molecular Formula

C18H15Cl3N4O10 (C18 H15 Cl3 N4 O10)

Compound Name

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

IUPAC name

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

SMILES

CCOc(c([N+]([O-])=O)cc(C(C(Cl)(Cl)Cl)c(cc1[N+]([O-])=O)cc([N+]([O-])=O)c1OCC)c1)c1[N+]([O-])=O

InChI

InChI=1S/C18H15Cl3N4O10/c1-3-34-16-11(22(26)27)5-9(6-12(16)23(28)29)15(18(19,20)21)10-7-13(24(30)31)17(35-4-2)14(8-10)25(32)33/h5-8,15H,3-4H2,1-2H3

InChI Key

PZGVFMGFBVSVFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00625767

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

553.7

Hydrogen Bond Acceptors Count

18.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

5.507

Distribution Coefficient, logD

5.507

Water Solubility, LogSw

-6.16

Polar Surface Area

146.883

Acid Dissociation Constant (pKa)

24.88

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

0627-0356 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0627-0356 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0627-0356?
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What is the minimum amount of 0627-0356 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0627-0356
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0627-0356
  • 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 0627-0356 available by request