S971-1028 Screening compound: 7-(3,4-difluorobenzoyl)-7-azaspiro[3.5]nonan-1-ol

S971-1028 Screening compound: 7-(3,4-difluorobenzoyl)-7-azaspiro[3.5]nonan-1-ol
S971-1028 Screening compound: 7-(3,4-difluorobenzoyl)-7-azaspiro[3.5]nonan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S971-1028
7-(3,4-difluorobenzoyl)-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

S971-1028

Molecular Formula

C15H17F2NO2 (C15 H17 F2 NO2)

Compound Name

7-(3,4-difluorobenzoyl)-7-azaspiro[3.5]nonan-1-ol

IUPAC name

7-(34-difluorobenzoyl)-7-azaspiro[3.5]nonan-1-ol

SMILES

OC(CC1)C1(CC1)CCN1C(c(cc1)cc(F)c1F)=O

InChI

InChI=1S/C15H17F2NO2/c16-11-2-1-10(9-12(11)17)14(20)18-7-5-15(6-8-18)4-3-13(15)19/h1-2,9,13,19H,3-8H2/t13-/m0/s1

InChI Key

OXSXRWYKEAWYNU-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD32231993

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.456

Distribution Coefficient, logD

1.456

Water Solubility, LogSw

-1.91

Polar Surface Area

32.754

Acid Dissociation Constant (pKa)

17.78

Base Dissociation Constant (pKb)

-2.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.33

S971-1028 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S971-1028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S971-1028?
Check Price and Availability of S971-1028, 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 S971-1028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S971-1028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S971-1028
  • 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 S971-1028 available by request