S637-0418 Screening compound: N-{3-cyclopropyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-3-methoxy-2-methylbenzamide

S637-0418 Screening compound: N-{3-cyclopropyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-3-methoxy-2-methylbenzamide
S637-0418 Screening compound: N-{3-cyclopropyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-3-methoxy-2-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S637-0418
N-{3-cyclopropyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-3-methoxy-2-methylbenzamide

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

S637-0418

Molecular Formula

C19H24N4O2 (C19 H24 N4 O2)

Compound Name

N-{3-cyclopropyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-3-methoxy-2-methylbenzamide

IUPAC name

N-{3-cyclopropyl-5H6H7H8H9H-[124]triazolo[43-a]azepin-7-yl}-3-methoxy-2-methylbenzamide

SMILES

Cc(c(OC)ccc1)c1C(NC1CCn2c(C3CC3)nnc2CC1)=O

InChI

InChI=1S/C19H24N4O2/c1-12-15(4-3-5-16(12)25-2)19(24)20-14-8-9-17-21-22-18(13-6-7-13)23(17)11-10-14/h3-5,13-14H,6-11H2,1-2H3,(H,20,24)/t14-/m0/s1

InChI Key

MBPSLHIPQNKRII-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD29017409

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

2.681

Distribution Coefficient, logD

2.525

Water Solubility, LogSw

-3.16

Polar Surface Area

57.363

Acid Dissociation Constant (pKa)

14.40

Base Dissociation Constant (pKb)

7.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.60

S637-0418 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

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

Protein-Protein Interaction Library (218420 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 S637-0418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S637-0418?
Check Price and Availability of S637-0418, 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 S637-0418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S637-0418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S637-0418
  • 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 S637-0418 available by request