8013-3102 Screening compound: 3-methyl-8-[(Z)-2,3,3-trichloro-1-nitro-2-propenylidene]-7-azabicyclo[4.2.0]octa-1(6),2,4-triene

8013-3102 Screening compound: 3-methyl-8-[(Z)-2,3,3-trichloro-1-nitro-2-propenylidene]-7-azabicyclo[4.2.0]octa-1(6),2,4-triene
8013-3102 Screening compound: 3-methyl-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 8013-3102
3-methyl-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

8013-3102

Molecular Formula

C11H7Cl3N2O2 (C11 H7 Cl3 N2 O2)

Compound Name

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

SMILES

Cc(cc1)cc2c1N/C2=C(/C(Cl)=C(Cl)Cl)\[N+]([O-])=O

InChI

InChI=1S/C11H7Cl3N2O2/c1-5-2-3-7-6(4-5)9(15-7)10(16(17)18)8(12)11(13)14/h2-4,15H,1H3

InChI Key

KWJNNPSQWWIDEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03765957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.519

Distribution Coefficient, logD

3.100

Water Solubility, LogSw

-4.71

Polar Surface Area

44.728

Acid Dissociation Constant (pKa)

6.00

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.09

References: we are preparing a list of scientific research reports with 8013-3102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3102?
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What is the minimum amount of 8013-3102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3102
  • 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 8013-3102 available by request