D170-0105 Screening compound: 3,7-bis(furan-2-carbonyl)-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-one

D170-0105 Screening compound: 3,7-bis(furan-2-carbonyl)-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-one
D170-0105 Screening compound: 3,7-bis(furan-2-carbonyl)-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D170-0105
3,7-bis(furan-2-carbonyl)-1,5-diphenyl-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

D170-0105

Molecular Formula

C29H24N2O5 (C29 H24 N2 O5)

Compound Name

3,7-bis(furan-2-carbonyl)-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-one

IUPAC name

37-bis(furan-2-carbonyl)-15-diphenyl-37-diazabicyclo[3.3.1]nonan-9-one

SMILES

O=C(c1ccco1)N(CC(CN(C1)C(c2ccco2)=O)(C2=O)c3ccccc3)CC12c1ccccc1

InChI

InChI=1S/C29H24N2O5/c32-25(23-13-7-15-35-23)30-17-28(21-9-3-1-4-10-21)18-31(26(33)24-14-8-16-36-24)20-29(19-30,27(28)34)22-11-5-2-6-12-22/h1-16H,17-20H2

InChI Key

VNZSXYUBHNMSJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06177493

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.701

Distribution Coefficient, logD

3.701

Water Solubility, LogSw

-3.96

Polar Surface Area

62.757

Acid Dissociation Constant (pKa)

27.78

Base Dissociation Constant (pKb)

-3.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

D170-0105 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 D170-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D170-0105?
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What is the minimum amount of D170-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D170-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D170-0105
  • 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 D170-0105 available by request