S971-0075 Screening compound: 7-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-methyl-7-azaspiro[3.5]nonan-1-ol

S971-0075 Screening compound: 7-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-methyl-7-azaspiro[3.5]nonan-1-ol
S971-0075 Screening compound: 7-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-methyl-7-azaspiro[3.5]nonan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S971-0075
7-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-methyl-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

S971-0075

Molecular Formula

C18H26ClNO3 (C18 H26 ClNO3)

Compound Name

7-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-methyl-7-azaspiro[3.5]nonan-1-ol

IUPAC name

7-[(2-chloro-34-dimethoxyphenyl)methyl]-1-methyl-7-azaspiro[3.5]nonan-1-ol

SMILES

CC(CC1)(C11CCN(Cc(c(Cl)c2OC)ccc2OC)CC1)O

InChI

InChI=1S/C18H26ClNO3/c1-17(21)6-7-18(17)8-10-20(11-9-18)12-13-4-5-14(22-2)16(23-3)15(13)19/h4-5,21H,6-12H2,1-3H3/t17-/m0/s1

InChI Key

OAMOUQRXKUGOAN-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32231150

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.86

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.222

Distribution Coefficient, logD

2.047

Water Solubility, LogSw

-3.33

Polar Surface Area

34.895

Acid Dissociation Constant (pKa)

15.76

Base Dissociation Constant (pKb)

8.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

S971-0075 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S971-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S971-0075?
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What is the minimum amount of S971-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S971-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S971-0075
  • 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 S971-0075 available by request