8010-7171 Screening compound: 2-[7-(morpholinocarbonyl)-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl]acetic acid

8010-7171 Screening compound: 2-[7-(morpholinocarbonyl)-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl]acetic acid
8010-7171 Screening compound: 2-[7-(morpholinocarbonyl)-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-7171
2-[7-(morpholinocarbonyl)-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl]acetic 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

8010-7171

Molecular Formula

C15H20N4O8 (C15 H20 N4 O8)

Compound Name

2-[7-(morpholinocarbonyl)-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl]acetic acid

IUPAC name

2-[7-(morpholine-4-carbonyl)-15-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl]acetic acid

SMILES

[O-][N+](C(C1)(CC(C(N2CCOCC2)=O)=C2)CN(CC(O)=O)CC12[N+]([O-])=O)=O

InChI

InChI=1S/C15H20N4O8/c20-12(21)7-16-9-14(18(23)24)5-11(6-15(8-14,10-16)19(25)26)13(22)17-1-3-27-4-2-17/h5H,1-4,6-10H2,(H,20,21)

InChI Key

OUQURFNIMNDUEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02054724

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.35

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

-1.911

Distribution Coefficient, logD

-5.147

Water Solubility, LogSw

-0.73

Polar Surface Area

123.051

Acid Dissociation Constant (pKa)

4.16

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

73.33

References: we are preparing a list of scientific research reports with 8010-7171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-7171?
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What is the minimum amount of 8010-7171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-7171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-7171
  • 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 8010-7171 available by request