S664-4886 Screening compound: 7-(5-bromopyridine-3-carbonyl)-7-azaspiro[3.5]nonan-1-ol

S664-4886 Screening compound: 7-(5-bromopyridine-3-carbonyl)-7-azaspiro[3.5]nonan-1-ol
S664-4886 Screening compound: 7-(5-bromopyridine-3-carbonyl)-7-azaspiro[3.5]nonan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S664-4886
7-(5-bromopyridine-3-carbonyl)-7-azaspiro[3.5]nonan-1-ol

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

S664-4886

Molecular Formula

C14H17BrN2O2 (C14 H17 BrN2 O2)

Compound Name

7-(5-bromopyridine-3-carbonyl)-7-azaspiro[3.5]nonan-1-ol

IUPAC name

7-(5-bromopyridine-3-carbonyl)-7-azaspiro[3.5]nonan-1-ol

SMILES

OC(CC1)C1(CC1)CCN1C(c1cc(Br)cnc1)=O

InChI

InChI=1S/C14H17BrN2O2/c15-11-7-10(8-16-9-11)13(19)17-5-3-14(4-6-17)2-1-12(14)18/h7-9,12,18H,1-6H2/t12-/m0/s1

InChI Key

MGVVTYZMLSXKDO-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD30465613

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.21

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.094

Distribution Coefficient, logD

1.094

Water Solubility, LogSw

-1.55

Polar Surface Area

42.362

Acid Dissociation Constant (pKa)

17.78

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.14

S664-4886 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S664-4886 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S664-4886?
Check Price and Availability of S664-4886, 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 S664-4886 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S664-4886
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S664-4886
  • 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 S664-4886 available by request