S637-0496 Screening compound: 3-{3-cyclopropyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-1-(2-phenylethyl)urea

S637-0496 Screening compound: 3-{3-cyclopropyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-1-(2-phenylethyl)urea
S637-0496 Screening compound: 3-{3-cyclopropyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-1-(2-phenylethyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound S637-0496
3-{3-cyclopropyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-1-(2-phenylethyl)urea

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

S637-0496

Molecular Formula

C19H25N5O (C19 H25 N5 O)

Compound Name

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

IUPAC name

3-{3-cyclopropyl-5H6H7H8H9H-[124]triazolo[43-a]azepin-7-yl}-1-(2-phenylethyl)urea

SMILES

O=C(NCCc1ccccc1)NC1CCn2c(C3CC3)nnc2CC1

InChI

InChI=1S/C19H25N5O/c25-19(20-12-10-14-4-2-1-3-5-14)21-16-8-9-17-22-23-18(15-6-7-15)24(17)13-11-16/h1-5,15-16H,6-13H2,(H2,20,21,25)/t16-/m0/s1

InChI Key

FPODDNJQPJGVES-INIZCTEOSA-N

MDL Number (MFCD)

MFCD29017426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.903

Distribution Coefficient, logD

1.746

Water Solubility, LogSw

-2.14

Polar Surface Area

60.108

Acid Dissociation Constant (pKa)

16.12

Base Dissociation Constant (pKb)

7.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.60

S637-0496 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with S637-0496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S637-0496?
Check Price and Availability of S637-0496, 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 S637-0496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S637-0496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S637-0496
  • 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 S637-0496 available by request