S346-0807 Screening compound: 1-(2-phenylethyl)-3-(3-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)urea

S346-0807 Screening compound: 1-(2-phenylethyl)-3-(3-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)urea
S346-0807 Screening compound: 1-(2-phenylethyl)-3-(3-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound S346-0807
1-(2-phenylethyl)-3-(3-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)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

S346-0807

Molecular Formula

C21H23N5O (C21 H23 N5 O)

Compound Name

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

IUPAC name

1-(2-phenylethyl)-3-(3-{5H6H7H8H-[124]triazolo[43-a]pyridin-3-yl}phenyl)urea

SMILES

O=C(NCCc1ccccc1)Nc1cc(-c2nnc3n2CCCC3)ccc1

InChI

InChI=1S/C21H23N5O/c27-21(22-13-12-16-7-2-1-3-8-16)23-18-10-6-9-17(15-18)20-25-24-19-11-4-5-14-26(19)20/h1-3,6-10,15H,4-5,11-14H2,(H2,22,23,27)

InChI Key

ZPAROHBJZYPXDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29006960

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.45

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

3.213

Distribution Coefficient, logD

3.211

Water Solubility, LogSw

-3.38

Polar Surface Area

58.398

Acid Dissociation Constant (pKa)

14.68

Base Dissociation Constant (pKb)

5.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

S346-0807 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Hemic and lymphatic
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S346-0807 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S346-0807?
Check Price and Availability of S346-0807, 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 S346-0807 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S346-0807
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S346-0807
  • 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 S346-0807 available by request