S346-0831 Screening compound: 3-[(oxolan-2-yl)methyl]-1-(3-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)urea

S346-0831 Screening compound: 3-[(oxolan-2-yl)methyl]-1-(3-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)urea
S346-0831 Screening compound: 3-[(oxolan-2-yl)methyl]-1-(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 S346-0831
3-[(oxolan-2-yl)methyl]-1-(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

S346-0831

Molecular Formula

C18H23N5O2 (C18 H23 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(NCC1OCCC1)Nc1cc(-c2nnc3n2CCCC3)ccc1

InChI

InChI=1S/C18H23N5O2/c24-18(19-12-15-7-4-10-25-15)20-14-6-3-5-13(11-14)17-22-21-16-8-1-2-9-23(16)17/h3,5-6,11,15H,1-2,4,7-10,12H2,(H2,19,20,24)/t15-/m1/s1

InChI Key

OGIJLWYAAVWRBY-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD29006966

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.881

Distribution Coefficient, logD

1.878

Water Solubility, LogSw

-2.45

Polar Surface Area

67.211

Acid Dissociation Constant (pKa)

15.14

Base Dissociation Constant (pKb)

5.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S346-0831 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S346-0831 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S346-0831?
Check Price and Availability of S346-0831, 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 S346-0831 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S346-0831
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S346-0831
  • 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 S346-0831 available by request