S968-0238 Screening compound: N-{6-[2-(4-fluorophenoxy)acetyl]-6-azaspiro[2.5]octan-1-yl}-2-methylpropanamide

S968-0238 Screening compound: N-{6-[2-(4-fluorophenoxy)acetyl]-6-azaspiro[2.5]octan-1-yl}-2-methylpropanamide
S968-0238 Screening compound: N-{6-[2-(4-fluorophenoxy)acetyl]-6-azaspiro[2.5]octan-1-yl}-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S968-0238
N-{6-[2-(4-fluorophenoxy)acetyl]-6-azaspiro[2.5]octan-1-yl}-2-methylpropanamide

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

S968-0238

Molecular Formula

C19H25FN2O3 (C19 H25 FN2 O3)

Compound Name

N-{6-[2-(4-fluorophenoxy)acetyl]-6-azaspiro[2.5]octan-1-yl}-2-methylpropanamide

IUPAC name

N-{6-[2-(4-fluorophenoxy)acetyl]-6-azaspiro[2.5]octan-1-yl}-2-methylpropanamide

SMILES

CC(C)C(NC(C1)C1(CC1)CCN1C(COc(cc1)ccc1F)=O)=O

InChI

InChI=1S/C19H25FN2O3/c1-13(2)18(24)21-16-11-19(16)7-9-22(10-8-19)17(23)12-25-15-5-3-14(20)4-6-15/h3-6,13,16H,7-12H2,1-2H3,(H,21,24)/t16-/m1/s1

InChI Key

ROHIVWMSOODICW-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD32232031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.621

Distribution Coefficient, logD

1.621

Water Solubility, LogSw

-2.04

Polar Surface Area

48.718

Acid Dissociation Constant (pKa)

13.07

Base Dissociation Constant (pKb)

4.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

S968-0238 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with S968-0238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S968-0238?
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What is the minimum amount of S968-0238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S968-0238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S968-0238
  • 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 S968-0238 available by request