8014-9105 Screening compound: 3-(4-bromophenyl)-2-phenyl-2-azaspiro[3.5]nonan-1-one

8014-9105 Screening compound: 3-(4-bromophenyl)-2-phenyl-2-azaspiro[3.5]nonan-1-one
8014-9105 Screening compound: 3-(4-bromophenyl)-2-phenyl-2-azaspiro[3.5]nonan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-9105
3-(4-bromophenyl)-2-phenyl-2-azaspiro[3.5]nonan-1-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

8014-9105

Molecular Formula

C20H20BrNO (C20 H20 BrNO)

Compound Name

3-(4-bromophenyl)-2-phenyl-2-azaspiro[3.5]nonan-1-one

IUPAC name

3-(4-bromophenyl)-2-phenyl-2-azaspiro[3.5]nonan-1-one

SMILES

O=C(C1(CCCCC1)C1c(cc2)ccc2Br)N1c1ccccc1

InChI

InChI=1S/C20H20BrNO/c21-16-11-9-15(10-12-16)18-20(13-5-2-6-14-20)19(23)22(18)17-7-3-1-4-8-17/h1,3-4,7-12,18H,2,5-6,13-14H2/t18-/m1/s1

InChI Key

ZRYPSXZFUJSPGS-GOSISDBHSA-N

MDL Number (MFCD)

MFCD03820867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.29

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.164

Distribution Coefficient, logD

5.164

Water Solubility, LogSw

-5.25

Polar Surface Area

15.563

Acid Dissociation Constant (pKa)

24.68

Base Dissociation Constant (pKb)

-2.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

8014-9105 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Cardiovascular Library (22201 compounds)

GPCR Targeted Library (31838 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
Agro:
  • Agro
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with 8014-9105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-9105?
Check Price and Availability of 8014-9105, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8014-9105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-9105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-9105
  • 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 8014-9105 available by request