S637-0147 Screening compound: 1-(4-methoxyphenyl)-N-{3-methyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}cyclopropane-1-carboxamide

S637-0147 Screening compound: 1-(4-methoxyphenyl)-N-{3-methyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}cyclopropane-1-carboxamide
S637-0147 Screening compound: 1-(4-methoxyphenyl)-N-{3-methyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}cyclopropane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S637-0147
1-(4-methoxyphenyl)-N-{3-methyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}cyclopropane-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

S637-0147

Molecular Formula

C19H24N4O2 (C19 H24 N4 O2)

Compound Name

1-(4-methoxyphenyl)-N-{3-methyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}cyclopropane-1-carboxamide

IUPAC name

1-(4-methoxyphenyl)-N-{3-methyl-5H6H7H8H9H-[124]triazolo[43-a]azepin-7-yl}cyclopropane-1-carboxamide

SMILES

Cc1nnc(CC2)n1CCC2NC(C1(CC1)c(cc1)ccc1OC)=O

InChI

InChI=1S/C19H24N4O2/c1-13-21-22-17-8-5-15(9-12-23(13)17)20-18(24)19(10-11-19)14-3-6-16(25-2)7-4-14/h3-4,6-7,15H,5,8-12H2,1-2H3,(H,20,24)/t15-/m0/s1

InChI Key

IRFHFHQEYGYPJE-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD29017380

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.407

Distribution Coefficient, logD

1.404

Water Solubility, LogSw

-2.02

Polar Surface Area

58.053

Acid Dissociation Constant (pKa)

14.97

Base Dissociation Constant (pKb)

7.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.60

S637-0147 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

GPCR Targeted Library (31838 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S637-0147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S637-0147?
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What is the minimum amount of S637-0147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S637-0147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S637-0147
  • 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 S637-0147 available by request