8013-8884 Screening compound: 3-(2-carboxyethyl)-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene-6-carboxylic acid

8013-8884 Screening compound: 3-(2-carboxyethyl)-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene-6-carboxylic acid
8013-8884 Screening compound: 3-(2-carboxyethyl)-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene-6-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-8884
3-(2-carboxyethyl)-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene-6-carboxylic acid

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

8013-8884

Molecular Formula

C12H15N3O8 (C12 H15 N3 O8)

Compound Name

3-(2-carboxyethyl)-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene-6-carboxylic acid

IUPAC name

3-(2-carboxyethyl)-15-dinitro-3-azabicyclo[3.3.1]non-6-ene-6-carboxylic acid

SMILES

[O-][N+](C(C1)(CC=C2C(O)=O)CN(CCC(O)=O)CC12[N+]([O-])=O)=O

InChI

InChI=1S/C12H15N3O8/c16-9(17)2-4-13-6-11(14(20)21)3-1-8(10(18)19)12(5-11,7-13)15(22)23/h1H,2-7H2,(H,16,17)(H,18,19)

InChI Key

KCONSEYJHJEESG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03767379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.27

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

-1.051

Distribution Coefficient, logD

-3.910

Water Solubility, LogSw

-0.55

Polar Surface Area

126.346

Acid Dissociation Constant (pKa)

3.78

Base Dissociation Constant (pKb)

4.93

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

66.70

References: we are preparing a list of scientific research reports with 8013-8884 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-8884?
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What is the minimum amount of 8013-8884 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-8884
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-8884
  • 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 8013-8884 available by request