S637-2589 Screening compound: N-{3-cyclopropyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-2-(1H-pyrazol-1-yl)acetamide

S637-2589 Screening compound: N-{3-cyclopropyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-2-(1H-pyrazol-1-yl)acetamide
S637-2589 Screening compound: N-{3-cyclopropyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-2-(1H-pyrazol-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S637-2589
N-{3-cyclopropyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-2-(1H-pyrazol-1-yl)acetamide

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

S637-2589

Molecular Formula

C15H20N6O (C15 H20 N6 O)

Compound Name

N-{3-cyclopropyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-2-(1H-pyrazol-1-yl)acetamide

IUPAC name

N-{3-cyclopropyl-5H6H7H8H9H-[124]triazolo[43-a]azepin-7-yl}-2-(1H-pyrazol-1-yl)acetamide

SMILES

O=C(Cn1nccc1)NC1CCn2c(C3CC3)nnc2CC1

InChI

InChI=1S/C15H20N6O/c22-14(10-20-8-1-7-16-20)17-12-4-5-13-18-19-15(11-2-3-11)21(13)9-6-12/h1,7-8,11-12H,2-6,9-10H2,(H,17,22)/t12-/m0/s1

InChI Key

BTUPRTGNRRYBCC-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD31962239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.313

Distribution Coefficient, logD

0.157

Water Solubility, LogSw

-0.79

Polar Surface Area

64.313

Acid Dissociation Constant (pKa)

15.80

Base Dissociation Constant (pKb)

7.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

S637-2589 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S637-2589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S637-2589?
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What is the minimum amount of S637-2589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S637-2589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S637-2589
  • 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 S637-2589 available by request