S637-0438 Screening compound: N-{3-cyclopropyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide

S637-0438 Screening compound: N-{3-cyclopropyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
S637-0438 Screening compound: N-{3-cyclopropyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S637-0438
N-{3-cyclopropyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-2-[5-methyl-3-(trifluoromethyl)-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

S637-0438

Molecular Formula

C17H21F3N6O (C17 H21 F3 N6 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(C(F)(F)F)nn1CC(NC1CCn2c(C3CC3)nnc2CC1)=O

InChI

InChI=1S/C17H21F3N6O/c1-10-8-13(17(18,19)20)24-26(10)9-15(27)21-12-4-5-14-22-23-16(11-2-3-11)25(14)7-6-12/h8,11-12H,2-7,9H2,1H3,(H,21,27)/t12-/m0/s1

InChI Key

OFHCLOHHSJACEJ-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD29017414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.334

Distribution Coefficient, logD

1.178

Water Solubility, LogSw

-1.80

Polar Surface Area

63.719

Acid Dissociation Constant (pKa)

15.62

Base Dissociation Constant (pKb)

7.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

64.70

S637-0438 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S637-0438 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S637-0438?
Check Price and Availability of S637-0438, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S637-0438 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S637-0438
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S637-0438
  • 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 S637-0438 available by request