8013-3103 Screening compound: 3-ethoxy-2-nitro-8-[(Z)-2,3,3-trichloro-1-nitro-2-propenylidene]-7-azabicyclo[4.2.0]octa-1(6),2,4-triene

8013-3103 Screening compound: 3-ethoxy-2-nitro-8-[(Z)-2,3,3-trichloro-1-nitro-2-propenylidene]-7-azabicyclo[4.2.0]octa-1(6),2,4-triene
8013-3103 Screening compound: 3-ethoxy-2-nitro-8-[(Z)-2,3,3-trichloro-1-nitro-2-propenylidene]-7-azabicyclo[4.2.0]octa-1(6),2,4-triene alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3103
3-ethoxy-2-nitro-8-[(Z)-2,3,3-trichloro-1-nitro-2-propenylidene]-7-azabicyclo[4.2.0]octa-1(6),2,4-triene

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

8013-3103

Molecular Formula

C12H8Cl3N3O5 (C12 H8 Cl3 N3 O5)

Compound Name

3-ethoxy-2-nitro-8-[(Z)-2,3,3-trichloro-1-nitro-2-propenylidene]-7-azabicyclo[4.2.0]octa-1(6),2,4-triene

IUPAC name

(8Z)-3-ethoxy-2-nitro-8-(233-trichloro-1-nitroprop-2-en-1-ylidene)-7-azabicyclo[4.2.0]octa-1(6)24-triene

SMILES

CCOc(ccc(N1)c2/C1=C(\C(Cl)=C(Cl)Cl)/[N+]([O-])=O)c2[N+]([O-])=O

InChI

InChI=1S/C12H8Cl3N3O5/c1-2-23-6-4-3-5-7(10(6)17(19)20)9(16-5)11(18(21)22)8(13)12(14)15/h3-4,16H,2H2,1H3

InChI Key

PZZKSRRVUISBRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03765958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.420

Distribution Coefficient, logD

-1.053

Water Solubility, LogSw

-4.96

Polar Surface Area

84.718

Acid Dissociation Constant (pKa)

1.93

Base Dissociation Constant (pKb)

-1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

References: we are preparing a list of scientific research reports with 8013-3103 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3103
  • 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 8013-3103 available by request