S034-1442 Screening compound: N-{2-[2-(3-chloro-4-methoxyphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl}pyridine-3-carboxamide

S034-1442 Screening compound: N-{2-[2-(3-chloro-4-methoxyphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl}pyridine-3-carboxamide
S034-1442 Screening compound: N-{2-[2-(3-chloro-4-methoxyphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl}pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S034-1442
N-{2-[2-(3-chloro-4-methoxyphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl}pyridine-3-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

S034-1442

Molecular Formula

C21H22ClN3O3 (C21 H22 ClN3 O3)

Compound Name

N-{2-[2-(3-chloro-4-methoxyphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl}pyridine-3-carboxamide

IUPAC name

N-[(1S4S5S)-2-[2-(3-chloro-4-methoxyphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-carboxamide

SMILES

COc(ccc(CC(N(C[C@@H]1C2)[C@@H]2C[C@@H]1NC(c1cnccc1)=O)=O)c1)c1Cl

InChI

InChI=1S/C21H22ClN3O3/c1-28-19-5-4-13(7-17(19)22)8-20(26)25-12-15-9-16(25)10-18(15)24-21(27)14-3-2-6-23-11-14/h2-7,11,15-16,18H,8-10,12H2,1H3,(H,24,27)/t15-,16-,18+/m0/s1

InChI Key

VVMFHPAWNSEFMM-XYJFISCASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.023

Distribution Coefficient, logD

2.023

Water Solubility, LogSw

-2.98

Polar Surface Area

57.896

Acid Dissociation Constant (pKa)

14.89

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

38.10

S034-1442 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 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:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S034-1442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S034-1442?
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What is the minimum amount of S034-1442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S034-1442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S034-1442
  • 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 S034-1442 available by request