S637-0503 Screening compound: 3-{3-cyclopropyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-1-[(4-methoxyphenyl)methyl]urea

S637-0503 Screening compound: 3-{3-cyclopropyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-1-[(4-methoxyphenyl)methyl]urea
S637-0503 Screening compound: 3-{3-cyclopropyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-1-[(4-methoxyphenyl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound S637-0503
3-{3-cyclopropyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-1-[(4-methoxyphenyl)methyl]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

S637-0503

Molecular Formula

C19H25N5O2 (C19 H25 N5 O2)

Compound Name

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

IUPAC name

3-{3-cyclopropyl-5H6H7H8H9H-[124]triazolo[43-a]azepin-7-yl}-1-[(4-methoxyphenyl)methyl]urea

SMILES

COc1ccc(CNC(NC2CCn3c(C4CC4)nnc3CC2)=O)cc1

InChI

InChI=1S/C19H25N5O2/c1-26-16-7-2-13(3-8-16)12-20-19(25)21-15-6-9-17-22-23-18(14-4-5-14)24(17)11-10-15/h2-3,7-8,14-15H,4-6,9-12H2,1H3,(H2,20,21,25)/t15-/m0/s1

InChI Key

OKILYOGMSAASDO-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD29017429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.709

Distribution Coefficient, logD

1.553

Water Solubility, LogSw

-2.07

Polar Surface Area

67.810

Acid Dissociation Constant (pKa)

15.76

Base Dissociation Constant (pKb)

7.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.60

S637-0503 in Drug Discovery

Included in Screening Libraries

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

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

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S637-0503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S637-0503?
Check Price and Availability of S637-0503, 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 S637-0503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S637-0503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S637-0503
  • 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 S637-0503 available by request