S895-0570 Screening compound: N-(butan-2-yl)-3-(methoxymethyl)-5,6,8,9-tetrahydrospiro[[1,2,4]triazolo[4,3-a]azepine-7,4'-piperidine]-1'-carboxamide

S895-0570 Screening compound: N-(butan-2-yl)-3-(methoxymethyl)-5,6,8,9-tetrahydrospiro[[1,2,4]triazolo[4,3-a]azepine-7,4'-piperidine]-1'-carboxamide
S895-0570 Screening compound: N-(butan-2-yl)-3-(methoxymethyl)-5,6,8,9-tetrahydrospiro[[1,2,4]triazolo[4,3-a]azepine-7,4'-piperidine]-1'-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S895-0570
N-(butan-2-yl)-3-(methoxymethyl)-5,6,8,9-tetrahydrospiro[[1,2,4]triazolo[4,3-a]azepine-7,4'-piperidine]-1'-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

S895-0570

Molecular Formula

C18H31N5O2 (C18 H31 N5 O2)

Compound Name

N-(butan-2-yl)-3-(methoxymethyl)-5,6,8,9-tetrahydrospiro[[1,2,4]triazolo[4,3-a]azepine-7,4'-piperidine]-1'-carboxamide

IUPAC name

N-(butan-2-yl)-3-(methoxymethyl)-5689-tetrahydrospiro[[124]triazolo[43-a]azepine-74'-piperidine]-1'-carboxamide

SMILES

CCC(C)NC(N(CC1)CCC1(CC1)CCn2c1nnc2COC)=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.832

Distribution Coefficient, logD

0.831

Water Solubility, LogSw

-1.31

Polar Surface Area

61.167

Acid Dissociation Constant (pKa)

17.25

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

83.33

S895-0570 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S895-0570 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S895-0570?
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What is the minimum amount of S895-0570 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S895-0570
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S895-0570
  • 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 S895-0570 available by request