S032-1927 Screening compound: N-{(1R,4R,6S)-2-[(1-ETHYL-1H-PYRAZOL-3-YL)CARBONYL]-2-AZABICYCLO[2.2.1]HEPT-6-YL}-2-THIOPHENECARBOXAMIDE

S032-1927 Screening compound: N-{(1R,4R,6S)-2-[(1-ETHYL-1H-PYRAZOL-3-YL)CARBONYL]-2-AZABICYCLO[2.2.1]HEPT-6-YL}-2-THIOPHENECARBOXAMIDE
S032-1927 Screening compound: N-{(1R,4R,6S)-2-[(1-ETHYL-1H-PYRAZOL-3-YL)CARBONYL]-2-AZABICYCLO[2.2.1]HEPT-6-YL}-2-THIOPHENECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S032-1927
N-{(1R,4R,6S)-2-[(1-ETHYL-1H-PYRAZOL-3-YL)CARBONYL]-2-AZABICYCLO[2.2.1]HEPT-6-YL}-2-THIOPHENECARBOXAMIDE

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

S032-1927

Molecular Formula

C17H20N4O2S (C17 H20 N4 O2 S)

Compound Name

N-{(1R,4R,6S)-2-[(1-ETHYL-1H-PYRAZOL-3-YL)CARBONYL]-2-AZABICYCLO[2.2.1]HEPT-6-YL}-2-THIOPHENECARBOXAMIDE

IUPAC name

n/a

SMILES

CCn(cc1)nc1C(N(C[C@@H](C1)C2)[C@@H]2[C@@H]1NC(c1cccs1)=O)=O

InChI

InChI=1S/C17H20N4O2S/c1-2-20-6-5-12(19-20)17(23)21-10-11-8-13(14(21)9-11)18-16(22)15-4-3-7-24-15/h3-7,11,13-14H,2,8-10H2,1H3,(H,18,22)/t11-,13+,14-/m0/s1

InChI Key

HAHIUTXYMWTIGH-YUTCNCBUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.609

Distribution Coefficient, logD

1.609

Water Solubility, LogSw

-2.30

Polar Surface Area

56.502

Acid Dissociation Constant (pKa)

15.00

Base Dissociation Constant (pKb)

-1.08

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

47.10

S032-1927 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Targets:
  • GPCR
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S032-1927 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S032-1927?
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What is the minimum amount of S032-1927 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S032-1927
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S032-1927
  • 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 S032-1927 available by request