8013-0934 Screening compound: 3-ethyl-1,5-dinitro-9-(2-oxo-2-phenylethyl)-3-azabicyclo[3.3.1]non-7-en-6-one

8013-0934 Screening compound: 3-ethyl-1,5-dinitro-9-(2-oxo-2-phenylethyl)-3-azabicyclo[3.3.1]non-7-en-6-one
8013-0934 Screening compound: 3-ethyl-1,5-dinitro-9-(2-oxo-2-phenylethyl)-3-azabicyclo[3.3.1]non-7-en-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0934
3-ethyl-1,5-dinitro-9-(2-oxo-2-phenylethyl)-3-azabicyclo[3.3.1]non-7-en-6-one

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

8013-0934

Molecular Formula

C18H19N3O6 (C18 H19 N3 O6)

Compound Name

3-ethyl-1,5-dinitro-9-(2-oxo-2-phenylethyl)-3-azabicyclo[3.3.1]non-7-en-6-one

IUPAC name

3-ethyl-15-dinitro-9-(2-oxo-2-phenylethyl)-3-azabicyclo[3.3.1]non-7-en-6-one

SMILES

CCN(CC(C1CC(c2ccccc2)=O)(C=CC2=O)[N+]([O-])=O)CC12[N+]([O-])=O

InChI

InChI=1S/C18H19N3O6/c1-2-19-11-17(20(24)25)9-8-16(23)18(12-19,21(26)27)15(17)10-14(22)13-6-4-3-5-7-13/h3-9,15H,2,10-12H2,1H3

InChI Key

QEYYRLFQAWSBIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03269033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.37

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.764

Distribution Coefficient, logD

1.764

Water Solubility, LogSw

-2.21

Polar Surface Area

94.454

Acid Dissociation Constant (pKa)

15.72

Base Dissociation Constant (pKb)

4.06

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

44.44

References: we are preparing a list of scientific research reports with 8013-0934 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0934?
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What is the minimum amount of 8013-0934 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0934
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0934
  • 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 8013-0934 available by request