8014-8701 Screening compound: 2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonan-9-one

8014-8701 Screening compound: 2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonan-9-one
8014-8701 Screening compound: 2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonan-9-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-8701
2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonan-9-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

8014-8701

Molecular Formula

C31H28N2O (C31 H28 N2 O)

Compound Name

2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonan-9-one

IUPAC name

2468-tetraphenyl-37-diazabicyclo[3.3.1]nonan-9-one

SMILES

O=C(C1C(c2ccccc2)NC2c3ccccc3)C2C(c2ccccc2)NC1c1ccccc1

InChI

InChI=1S/C31H28N2O/c34-31-25-27(21-13-5-1-6-14-21)32-29(23-17-9-3-10-18-23)26(31)30(24-19-11-4-12-20-24)33-28(25)22-15-7-2-8-16-22/h1-20,25-30,32-33H

InChI Key

ITTQAMYBEGYMAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00135956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.356

Distribution Coefficient, logD

6.355

Water Solubility, LogSw

-6.15

Polar Surface Area

38.131

Acid Dissociation Constant (pKa)

16.14

Base Dissociation Constant (pKb)

4.63

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

19.40

8014-8701 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8014-8701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-8701?
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What is the minimum amount of 8014-8701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-8701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-8701
  • 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 8014-8701 available by request