S968-0659 Screening compound: N-[6-(1,3-thiazole-4-carbonyl)-6-azaspiro[2.5]octan-1-yl]benzamide

S968-0659 Screening compound: N-[6-(1,3-thiazole-4-carbonyl)-6-azaspiro[2.5]octan-1-yl]benzamide
S968-0659 Screening compound: N-[6-(1,3-thiazole-4-carbonyl)-6-azaspiro[2.5]octan-1-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S968-0659
N-[6-(1,3-thiazole-4-carbonyl)-6-azaspiro[2.5]octan-1-yl]benzamide

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

S968-0659

Molecular Formula

C18H19N3O2S (C18 H19 N3 O2 S)

Compound Name

N-[6-(1,3-thiazole-4-carbonyl)-6-azaspiro[2.5]octan-1-yl]benzamide

IUPAC name

N-[6-(13-thiazole-4-carbonyl)-6-azaspiro[2.5]octan-1-yl]benzamide

SMILES

O=C(c1cscn1)N(CC1)CCC1(C1)C1NC(c1ccccc1)=O

InChI

InChI=1S/C18H19N3O2S/c22-16(13-4-2-1-3-5-13)20-15-10-18(15)6-8-21(9-7-18)17(23)14-11-24-12-19-14/h1-5,11-12,15H,6-10H2,(H,20,22)/t15-/m1/s1

InChI Key

KYMCMROVWBOUJK-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD32230982

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.580

Distribution Coefficient, logD

1.580

Water Solubility, LogSw

-2.30

Polar Surface Area

51.103

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

-0.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.89

S968-0659 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S968-0659 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S968-0659?
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What is the minimum amount of S968-0659 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S968-0659
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S968-0659
  • 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 S968-0659 available by request