S637-3320 Screening compound: N-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-N,3-dimethyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-amine

S637-3320 Screening compound: N-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-N,3-dimethyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-amine
S637-3320 Screening compound: N-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-N,3-dimethyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound S637-3320
N-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-N,3-dimethyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-amine

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

S637-3320

Molecular Formula

C18H24N4O (C18 H24 N4 O)

Compound Name

N-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-N,3-dimethyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-amine

IUPAC name

N-[(23-dihydro-1-benzofuran-5-yl)methyl]-N3-dimethyl-5H6H7H8H9H-[124]triazolo[43-a]azepin-7-amine

SMILES

Cc1nnc(CC2)n1CCC2N(C)Cc(cc1)cc2c1OCC2

InChI

InChI=1S/C18H24N4O/c1-13-19-20-18-6-4-16(7-9-22(13)18)21(2)12-14-3-5-17-15(11-14)8-10-23-17/h3,5,11,16H,4,6-10,12H2,1-2H3/t16-/m0/s1

InChI Key

BTZPBXHATAHZRB-INIZCTEOSA-N

MDL Number (MFCD)

MFCD31997013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.565

Distribution Coefficient, logD

-0.942

Water Solubility, LogSw

-1.93

Polar Surface Area

37.145

Acid Dissociation Constant (pKa)

20.59

Base Dissociation Constant (pKb)

9.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.56

S637-3320 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S637-3320 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S637-3320?
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What is the minimum amount of S637-3320 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S637-3320
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S637-3320
  • 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 S637-3320 available by request