S968-0734 Screening compound: N-[6-(3-methylbutanoyl)-6-azaspiro[2.5]octan-1-yl]pyridine-4-carboxamide

S968-0734 Screening compound: N-[6-(3-methylbutanoyl)-6-azaspiro[2.5]octan-1-yl]pyridine-4-carboxamide
S968-0734 Screening compound: N-[6-(3-methylbutanoyl)-6-azaspiro[2.5]octan-1-yl]pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S968-0734
N-[6-(3-methylbutanoyl)-6-azaspiro[2.5]octan-1-yl]pyridine-4-carboxamide

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

S968-0734

Molecular Formula

C18H25N3O2 (C18 H25 N3 O2)

Compound Name

N-[6-(3-methylbutanoyl)-6-azaspiro[2.5]octan-1-yl]pyridine-4-carboxamide

IUPAC name

N-[6-(3-methylbutanoyl)-6-azaspiro[2.5]octan-1-yl]pyridine-4-carboxamide

SMILES

CC(C)CC(N(CC1)CCC1(C1)C1NC(c1ccncc1)=O)=O

InChI

InChI=1S/C18H25N3O2/c1-13(2)11-16(22)21-9-5-18(6-10-21)12-15(18)20-17(23)14-3-7-19-8-4-14/h3-4,7-8,13,15H,5-6,9-12H2,1-2H3,(H,20,23)/t15-/m0/s1

InChI Key

UCUALVPWUWOWTP-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD32231353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.044

Distribution Coefficient, logD

1.043

Water Solubility, LogSw

-1.38

Polar Surface Area

50.647

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

4.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.11

S968-0734 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 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 S968-0734 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S968-0734?
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What is the minimum amount of S968-0734 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S968-0734
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S968-0734
  • 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 S968-0734 available by request